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Part Number: Aspen Physical Property System 11.1 September 2001 Copyright (c) 1981-2001 by Aspen Technology, Inc. All ri

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Part Number: Aspen Physical Property System 11.1 September 2001 Copyright (c) 1981-2001 by Aspen Technology, Inc. All rights reserved. Aspen Plus®, Aspen Properties®, Aspen Engineering Suite, AspenTech®, ModelManager, the aspen leaf logo and Plantelligence are trademarks or registered trademarks of Aspen Technology, Inc., Cambridge, MA. BATCHFRAC and RATEFRAC are trademarks of Koch Engineering Company, Inc. All other brand and product names are trademarks or registered trademarks of their respective companies. This manual is intended as a guide to using AspenTech’s software. This documentation contains AspenTech proprietary and confidential information and may not be disclosed, used, or copied without the prior consent of AspenTech or as set forth in the applicable license agreement. Users are solely responsible for the proper use of the software and the application of the results obtained. Although AspenTech has tested the software and reviewed the documentation, the sole warranty for the software may be found in the applicable license agreement between AspenTech and the user. ASPENTECH MAKES NO WARRANTY OR REPRESENTATION, EITHER EXPRESSED OR IMPLIED, WITH RESPECT TO THIS DOCUMENTATION, ITS QUALITY, PERFORMANCE, MERCHANTABILITY, OR FITNESS FOR A PARTICULAR PURPOSE.

Corporate Aspen Technology, Inc. Ten Canal Park Cambridge, MA 02141-2201 USA Phone: (1) (617) 949-1021 Toll Free: (1) (888) 996-7001 Fax: (1) (617) 949-1724 URL: http://www.aspentech.com

Division Design, Simulation and Optimization Systems Aspen Technology, Inc. Ten Canal Park Cambridge, MA 02141-2201 USA Phone: (617) 949-1000 Fax: (617) 949-1030

Contents For More Information.......................................................................................................viii Technical Support.............................................................................................................viii Contacting Customer Support ................................................................................ix Hours ......................................................................................................................ix Phone ......................................................................................................................ix Fax ...........................................................................................................................x E-mail ......................................................................................................................x Databanks

1-1

Overview ..........................................................................................................................1-1 Aspen Physical Property System Databanks ....................................................................1-1 Using DFMS to Manage Databanks.................................................................................1-4 DFMS Input Language Conventions....................................................................1-6 DFMS Primary Keywords ....................................................................................1-7 Databanks Available in the Aspen Physical Property System .......................................1-15 AQUEOUS Databank.........................................................................................1-15 AQU92 Databank ...............................................................................................1-16 ASPENPCD Databank........................................................................................1-16 INORGANIC Databank .....................................................................................1-16 PURE11 Databank..............................................................................................1-17 PURE10 Databank..............................................................................................1-18 PURE856 Databank............................................................................................1-18 PURE93 Databank..............................................................................................1-18 SOLIDS Databank..............................................................................................1-18 COMBUST Databank.........................................................................................1-19 ETHYLENE Databank .......................................................................................1-19 Binary Parameters for Activity Coefficient Models.......................................................1-19 Binary Parameters for Vapor-Liquid Applications ............................................1-19 Binary Parameters for Liquid-Liquid Applications............................................1-20 Henry’s Law Constants .......................................................................................1-20 Electrolytes Model Parameters.......................................................................................1-21 The Pitzer Parameter ..........................................................................................1-21 The Electrolyte NRTL Parameters .....................................................................1-21 Pure Component Databanks ...........................................................................................1-22 Aqueous Component Databanks ....................................................................................1-68 Combust Component Databank....................................................................................1-111

Physical Property Data 11.1

Contents • iii

Ethylene Component Databank ....................................................................................1-113 Inorganic Component Databank...................................................................................1-116 Solids Component Databank ........................................................................................1-174 Electrolytes Data

2-1

Overview ..........................................................................................................................2-1 2-Amino-2-Methyl-1-Propanol with Acid Gases .............................................................2-3 Ammonia and Carbon Dioxide.........................................................................................2-4 Ammonia and Hydrogen Cyanide ....................................................................................2-5 Ammonia and Hydrogen Sulfide......................................................................................2-6 Ammonia and Phosphoric Acid........................................................................................2-7 Ammonia and Sulfur Dioxide ..........................................................................................2-8 Ammonia and Water.........................................................................................................2-8 Brine Solution with Sour Gases........................................................................................2-9 Caustic Solutions ............................................................................................................2-10 Chlorine and Water.........................................................................................................2-11 Chlorine, Hydrogen Chloride, and Sodium Hydroxide..................................................2-11 Diethanolamine with Acid Gases ...................................................................................2-13 Diglycolamine with Acid Gases .....................................................................................2-14 Flue-Gas and Water ........................................................................................................2-15 Hot Carbonate CO2 Absorption .....................................................................................2-17 Hot Carbonate with Diethanolamine ..............................................................................2-18 Hydrogen Bromide .........................................................................................................2-19 Hydrogen Chloride .........................................................................................................2-19 Hydrogen Chloride and Magnesium Chloride................................................................2-20 Hydrogen Fluoride..........................................................................................................2-21 Hydrogen Iodide and Water ...........................................................................................2-22 Methyldiethanolamine with Acid Gases.........................................................................2-22 Monoethanolamine with Acid Gases..............................................................................2-24 Nitric Acid ......................................................................................................................2-25 Potassium Hydroxide......................................................................................................2-25 Sodium Hydroxide..........................................................................................................2-26 Sodium Hydroxide and Sulfur Dioxide..........................................................................2-27 Sour Water......................................................................................................................2-28 Sour Water and Caustic ..................................................................................................2-28 Sulfuric Acid...................................................................................................................2-30 Sulfuric Acid and Hydrogen Bromide............................................................................2-30 Sulfuric Acid and Hydrogen Chloride............................................................................2-31 Group Contribution Method Functional Groups

3-1

Overview ..........................................................................................................................3-1 PCES Functional Groups..................................................................................................3-1 Table 3.1 Ambrose Method Functional Groups ..................................................3-2 Table 3.2 Benson Method Functional Groups.....................................................3-4 Table 3.2A BensonR8 Method Functional Groups ...........................................3-15 Table 3.3 Bondi Method Functional Groups .....................................................3-24 iv • Contents

Physical Property Data 11.1

Table 3.3A Ducros Method Functional Groups ................................................3-26 Table 3.4 Fedors Method Functional Groups....................................................3-34 Table 3.4A Gani Method Functional Groups ....................................................3-36 Table 3.5 Joback Method Functional Groups....................................................3-42 Table 3.6 Le Bas Method Functional Groups....................................................3-44 Table 3.6A Li-Ma Method Functional Groups..................................................3-44 Table 3.7 Lydersen Method Functional Groups................................................3-48 Table 3.7A Mostafa Method Functional Groups...............................................3-50 Table 3.8 Ogata-Tsuchida Method Functional Groups .....................................3-56 Table 3.9 Orrick-Erbar Method Functional Groups ..........................................3-58 Table 3.10 Parachor Method Functional Groups...............................................3-59 Table 3.11 Reichenberg Method Functional Groups.........................................3-60 Table 3.11A Ruzicka Method Functional Groups.............................................3-61 UNIFAC Functional Groups ..........................................................................................3-67 Table 3.12 UNIFAC Method Functional Groups..............................................3-68 Table 3.13 Special UNIFAC Liquid-Liquid Functional Groups.......................3-72 Table 3.14 Vapor-Liquid Systems UNIFAC Group Interaction Parameters.....3-73 Table 3.15 Liquid-Liquid Systems UNIFAC Group Interaction Parameters....3-74 Table 3.16 Group Interaction Parameters for Lyngby Modified UNIFAC.......3-75 Table 3.17 Group Interaction Parameters for Dortmund Modified UNIFAC Model..................................................................................................................3-76 Table 3.18 Group Interaction Parameters for UNIFAC Model Revision 3.......3-77 Table 3.19 Group Interaction Parameter for UNIFAC Model Revision 4 ........3-78 Notes...............................................................................................................................3-79 Property Sets

4-1

Overview ..........................................................................................................................4-1 Table 4.1 Mixture Thermodynamic Properties.....................................................4-3 Table 4.2 Thermodynamic Properties of Components in Mixtures .....................4-5 Table 4.3 Pure Component Thermodynamic Properties ......................................4-6 Table 4.4 Electrolyte Properties ...........................................................................4-7 Table 4.5 Transport Properties .............................................................................4-8 Table 4.6 Petroleum-Related Properties for Mixtures..........................................4-9 Table 4.7 Elemental Analysis of Mixtures .........................................................4-15 Table 4.8 Nonconventional Component Properties............................................4-16 Table 4.9 Valid Properties for Substream ALL..................................................4-16 Notes...............................................................................................................................4-17

Physical Property Data 11.1

Contents • v

vi • Contents

Physical Property Data 11.1

About This Manual This manual includes technical reference information and listings for all Aspen Physical Property System databanks, electrolytes data, group contribution method functional groups, and property sets. Much of this information is also available in online prompts and help. For information on property option sets, property methods, models, and parameter estimation, see Physical Property Methods and Models. An overview of the Aspen Physical Property System physical property system, and information about how to use its full range and power, is in the Aspen Plus and Aspen Properties User Guides, as well as in online help and prompts in Aspen Plus and Aspen Properties.

Physical Property Data 11.1

About This Manual • vii

For More Information The Aspen Physical Property System has a complete system of online help and context-sensitive prompts. The help system contains both context-sensitive help and reference information. Online Help

Aspen Physical Property System reference manuals provide detailed technical reference information about the physical property calculation system supplied with Aspen Plus and Aspen Properties. Physical Property Reference Manuals

Aspen Plus reference manuals provide background information about Aspen Plus and Aspen Properties. Aspen Plus and Aspen Properties manuals

The manuals are delivered in Adobe portable document format (PDF).

Technical Support For additional information about AspenTech products and services, check the AspenTech World Wide Web home page on the Internet at: http://www.aspentech.com/

World Wide Web

Technical resources AspenTech customers with a valid license and software maintenance agreement can register to access the Online Technical Support Center at http://support.aspentech.com/

This web support site allows you to: • Access current product documentation • Search for tech tips, solutions and frequently asked questions (FAQs) • Search for and download application examples • Submit and track technical issues • Send suggestions • Report product defects • Review lists of known deficiencies and defects Registered users can also subscribe to our Technical Support eBulletins. These e-Bulletins are used to proactively alert users to important technical support information such as: • Technical advisories • Product updates and Service Pack announcements

viii • About This Manual

Physical Property Data 11.1

Contacting Customer Support

Customer support is also available by phone, fax, and email for customers with a current support contract for this product. For the most up-to-date phone listings, please see the Online Technical Support Center at http://support.aspentech.com. The following contact information was current when this product was released:

Hours

Phone

Physical Property Data 11.1

Support Centers

Operating Hours

North America South America Europe Asia and Pacific Region

8:00 – 20:00 Eastern Time 9:00 – 17:00 Local time 8:30 – 18:00 Central European time 9:00 – 17:30 Local time

Support Centers

Phone Numbers

North America

1-888-996-7100 1-281-584-4357 (52) (5) 536-2809

Toll-free from U.S., Canada, Mexico North America Support Center Mexico Support Center

South America

(54) (11) 4361-7220 (55) (11) 5012-0321 (0800) 333-0125 (000) (814) 550-4084 8001-2410

Argentina Support Center Brazil Support Center Toll-free to U.S. from Argentina Toll-free to U.S. from Brazil Toll-free to U.S. from Venezuela

Europe

(32) (2) 701-95-55 European Support Center Country specific toll-free numbers: Belgium (0800) 40-687 Denmark 8088-3652 Finland (0) (800) 1-19127 France (0805) 11-0054 Ireland (1) (800) 930-024 Netherlands (0800) 023-2511 Norway (800) 13817 Spain (900) 951846 Sweden (0200) 895-284 Switzerland (0800) 111-470 UK (0800) 376-7903

Asia and Pacific Region

(65) 395-39-00 (81) (3) 3262-1743

Singapore Tokyo

About This Manual • ix

Fax

E-mail

x • About This Manual

Support Centers

Fax Numbers

North America

1-617-949-1724 (Cambridge, MA) 1-281-584-1807 (Houston, TX: both Engineering and Manufacturing Suite) 1-281-584-5442 (Houston, TX: eSupply Chain Suite) 1-281-584-4329 (Houston, TX: Advanced Control Suite) 1-301-424-4647 (Rockville, MD) 1-908-516-9550 (New Providence, NJ) 1-425-492-2388 (Seattle, WA)

South America

(54) (11) 4361-7220 (Argentina) (55) (11) 5012-4442 (Brazil)

Europe

(32) (2) 701-94-45

Asia and Pacific Region

(65) 395-39-50 (Singapore) (81) (3) 3262-1744 (Tokyo)

Support Centers

E-mail

North America

[email protected] (Engineering Suite) [email protected] (Aspen ICARUS products) [email protected] (Aspen MIMI products) [email protected] (Aspen PIMS products) [email protected] (Aspen Retail products) [email protected] (Advanced Control products) [email protected] (Manufacturing Suite) [email protected] (Mexico)

South America

[email protected] (Argentina) [email protected] (Brazil)

Europe

[email protected] (Engineering Suite) [email protected] (All other suites) [email protected] (CIMVIEW products)

Asia and Pacific Region

[email protected] (Singapore: Engineering Suite) [email protected] (Singapore: All other suites) [email protected] (Tokyo: Engineering Suite) [email protected] (Tokyo: All other suites)

Physical Property Data 11.1

CHAPTER 1

Databanks

Overview Physical property models require parameters to calculate properties. After you have selected the option set(s) to be used in a calculation, you must determine the parameter requirements and ensure that all required parameters are available. The required parameters can be retrieved from databanks, entered directly on the Properties Parameters forms, or estimated by the Aspen Physical Property System using the Property Constant Estimation System (PCES). This chapter discusses: • the Aspen Physical Property System databanks • Use of the Data File Management System (DFMS) to manage databanks • Databanks available in the Aspen Physical Property System • Binary parameters for activity coefficient models • Electrolytes model parameters The use of the Properties Parameters forms to enter parameters and the use of parameter estimation are described in the Aspen Plus User Guide, Chapter 8 and in the Aspen Properties User Guide.

Aspen Physical Property System Databanks Aspen Physical Property System physical property databanks are listed in Table 1.1. There are three categories of databanks: system, in-house, and user.

Physical Property Data 11.1

Databanks • 1-1

System databanks System databanks are part of the Aspen Physical Property System and are delivered with it. You can modify the system databanks to add your own components or parameters. But this practice is discouraged. If you have a large amount of data, use the in-house databank instead. System databanks are available for every Aspen Physical Property System calculation. Property parameters are retrieved automatically from the PURECOMP, SOLIDS, AQUEOUS, INORGANIC, and BINARY databanks. To retrieve parameters from other databanks, use the Components.Main form. Tables 1.2 through 1.15 list the parameters available in: AQUEOUS, ASPENPCD, INORGANIC, PURE10, PURE856, PURE93,SOLIDS and COMBUST. See Databanks Available in the Aspen Physical Property System for descriptions of these databanks. In-house databanks Use the in-house databanks when you have a large amount of in-house data to be used in the Aspen Physical Property System. These databanks are independent of the system databanks. Your system administrator for AspenTech software must create and activate in-house databanks. (See Using DFMS to Manage Databanks for information about creating in-house databanks.) Information on activation of in-house databanks is in Aspen Plus System Management. User databanks User databanks are appropriate when certain data are not intended for all Aspen Physical Property System users. This may occur when the accuracy of the data is in question, or when data are of a proprietary nature. Use the Aspen Physical Property Data File Management System (DFMS) to create user databanks. (See Using DFMS to Manage Databanks.) These databanks can be used in any Aspen Physical Property System calculation. Any in-house or user databanks you created using DFMS must also be installed on ModelManager (see Aspen Plus System Management, Chapter 6, for installation instructions).

1-2 • Databanks

Physical Property Data 11.1

Table 1.1

Aspen Physical Property System Physical Property Databanks

System Databanks

Databank Name

Password

Maximum Maximum Maximum Type Parameters Components Pairs Description

PURE11

PURE11

PP1 100

2500



ASPENPCD

ASPENPCD

PP1 40

1000



SOLIDS AQUEOUS BINARY COMBUST ETHYLENE INORGANIC

SOLIDS PP1 AQUEOUS PP1 BINARY PP2 COMBUST PP1 ETYHYLENE PP2 INORGANIC PP1

4000 4000 100 4000 100 2500

— — 3000 — 3000 —

PURE856

PURE856

PP1 100

2500



PURE93

PURE93

PP1 100

2500



PURE10

PURE10

PP1 100

2500



AQU92

AQU92

PP1 40

4000

40 40 20 40 20 25

Main pure component databank Aspen Physical Property System pure component databank Solid component databank Aqueous component databank Binary databank Combustion databank Ethylene databank Inorganic component databank Pure component databank from release 8.5 – 6 Pure component databank from release 9.3 Pure component databank from version 10.2 AQUEOUS databank for Release 9.2

In-House Databanks

Databank Name

Password

Maximum Maximum Maximum Type Parameters Components Pairs Description

INHSPCD

INHSPCD

PP1 40

1800



INHSSOL INHSAQUS

INHSSOL INHSAQUS

PP1 25 PP1 40

2500 4000

— —

INHSBIN

INHSBIN

PP2 20

100

3000

In-house pure component databank In-house SOLIDS databank In-house AQUEOUS databank In-house binary databank

User Databanks

Databank Name

Password †

USRPP1A USRPP1B USRPP2A USRPP2B

Maximum Maximum Maximum Type Parameters Components Pairs Description

PP1 PP1 PP2 PP2

40 40 20 20

500 500 100 100

— — 3000 3000

User PP1 databank User PP1 databank User PP2 databank User PP2 databank

† Assigned by the user

Physical Property Data 11.1

Databanks • 1-3

See Using DFMS to Manage Databanks, this chapter, for an explanation of Type.

Using DFMS to Manage Databanks DFMS is a system for creating and updating system, in-house, or user physical property databanks. The five major functions of DFMS are to: • Create a new databank • Add new data to an existing databank • Delete data from an existing databank • Copy data from one databank to another • Print the contents of a databank DFMS is a peripheral system of the Aspen Physical Property System. It has its own run procedure, which is different for each operating system. DFMS is described in Aspen Plus System Management. Physical property databanks have directories of information about the type and location of data they contain. The directory structure reflects the databank type. Two types of databanks can be created and maintained by DFMS: Type 1 (or PP1 databank) and Type 2 (or PP2 databank). Type 1 (PP1 databank) Has an unpacked structure. There is space for any combination of components and parameters. It resembles a grid, with all components listed on one axis and parameters on the other. There may be holes in the data file, if parameter values are missing (the file is not packed full). This type of databank uses only one parameter directory. Every component has the same parameters and the same structure. The grid and data structure are illustrated in Figure 1.1.

1-4 • Databanks

Physical Property Data 11.1

(a) Grid Structure

(b) Data Structure A1

1

PARAMETERS 3 2

A2 4

A

A3 A4

B

B1

C

. . .

D E F3

F

F4 Figure 1.1 Unpacked Structure Databank

Type 2 (or PP2 databank) Has a packed structure, which differs from the unpacked structure in two ways: • Each component has its own parameter directory and may have a unique set of parameters. • Data are not stored positionally. Pointers track the data, so the file is packed full. Figure 1.2 demonstrates how pointers are used in the PP2 databank structure. PARAMETER DIRECTORIES 1 2 COMPONENT DIRECTORY

3

A1 A2 A3

A B

PARAMETER VALUES

4

C2 B4

C 2

C4

4

C5

5 Figure 1.2 Packed Structure Databank

A PP2 databank uses space more efficiently than a PP1 databank, but the PP2 databank requires increased overhead when storing or retrieving data. The PP1 structure is appropriate when most of the

Physical Property Data 11.1

Databanks • 1-5

values are available for a relatively comprehensive set of parameters, common to all of the components included. The PP2 structure is intended for parameters not appropriate for a PP1 file. All binary pair parameters, for example, must be stored in PP2 databanks. In addition to a type, all databanks have names and passwords. Table 1.1 lists the databanks recognized by DFMS. The passwords listed for system databanks and in-house databanks are recognized by DFMS. For user databanks, you must use input language to assign a password. DFMS Input Language Conventions

For readers familiar with Aspen Plus input language, the DFMS input language is similar: • Keywords are written in sentences and paragraphs. • Only primary keywords start in column one. • Titles are enclosed in single quotes. • Descriptions are enclosed in double quotes. • Binary pairs are enclosed in parentheses. • The slash (/) is used to separate sentences. • Comment lines are allowed. Each comment line must begin with a semicolon (;). However, in DFMS input language: • The sentence continuation character, the ampersand (&), is not needed. • DFMS input is processed in two separate passes: first the TITLE, DESCRIPTION, FILE, and NO-ECHO commands are processed. On the second pass all remaining commands are processed. The DFMS primary keywords are: COPY CLEAN-UP DELETE

1-6 • Databanks

DESCRIPTION END- INPUT FILE

NEW- COMP NEW- PROP NO-ECHO PRINT-DATA

PRINT-DIR PROP- DATA TITLE WRFILE

Physical Property Data 11.1

You can enter each primary keyword only once in a DFMS run. In addition, the following limitations apply: Maximum

In a

32 Characters 12 Characters 6 Characters 16 Elements 8 Elements 100 Paragraphs 1000 Sentences 100 Arguments

Component name Component alias Parameter name Unary parameter Binary parameter Run Paragraph Tertiary keyword

You may need to create several DFMS input files when building a large databank. Create the databank by making enough DFMS runs to use all the input files. The maximum number of components allowed in a databank and the maximum number of parameters per component are listed in Table 1.1. DFMS Primary Keywords

There are four types of DFMS keywords: Purpose

Keywords

General utility

TITLE, DESCRIPTION, CLEAN-UP, END-INPUT Defining databank FILE, WRFILE, NEW-COMP, characteristics NEW-PROP Entering or deleting databank COPY, DELETE, PROP-DATA data Controlling databank reports NO-ECHO, PRINT-DIR, PRINT-DATA TITLE and DESCRIPTION

Your title is printed on each page of the DFMS report file, and your description is printed at the beginning of the report. Input Language TITLE ’up to 64 characters enclosed in single quotes’ DESCRIPTION

CLEAN-UP

"any amount of text entered on any number of lines and enclosed in double quotes"

CLEAN-UP compresses a databank file. Using CLEAN-UP is recommended after several deletions from a databank. Input Language

CLEAN-UP END-INPUT

END-INPUT must be the last keyword given to DFMS. It terminates DFMS, and any keywords that follow are ignored. Input Language

END-INPUT

Physical Property Data 11.1

Databanks • 1-7

FILE

FILE is used to specify the databank names and passwords of all databanks used during a DFMS run. It also specifies whether the databank is old or newly created. Input Language

FILE

name

password

NEW  OLD   

/

Input Language Description

name

Name of the databank obtained from Table 1.1.

password

Password for the system, in-house, and user databanks (see Table 1.1). A user-supplied password identical to the external file name is recommended, to avoid confusion. This password is also used to retrieve parameters from the databank in an Aspen Physical Property System calculation.

NEW

For a new databank

OLD

For an old databank (Default)

Example 1

Creating a user databank

A user PP1 databank USRPP1A is created. The password is XYZ. It references the ASPENPCD. The FILE paragraph required is: FILE

WRFILE

USRPP1A

XYZ

NEW

/

ASPENPCD

ASPENPCD

OLD

WRFILE specifies that the databank can be written to. This command must precede the PROP-DATA, NEW-COMP, NEWPROP, COPY, DELETE, and CLEAN-UP paragraphs. You cannot have more than one WRFILE paragraph in a DFMS run. Input Language

WRFILE

password

[auth]

Input Language Description

NEW-COMP

1-8 • Databanks

password

Password for the databank

auth

Optional authorization code. Needed only when you want to modify the built-in system databanks from the Aspen Physical Property System.

Use the NEW-COMP paragraph to add new components to a databank. If you use the COPY paragraph to copy data from another databank, the NEW-COMP paragraph is not required. No more than 1000 components can be added using NEW-COMP in a single DFMS run. Table 1.1 shows the maximum number of

Physical Property Data 11.1

components or component pairs allowed for each Aspen Physical Property System databank. Input Language

To add components: NEW-COMP

cname

calias

/

. . .

To add binary pairs: (cname1

cname2)

(calias1

calias2)

/

. . .

Input Language Description

cname, cname1, cname2

Component name. If the component name contains embedded blanks, it must be enclosed in single quotes.

calias, calias1, calias2 Component alias. If the alias name contains embedded blanks, it must be enclosed in single quotes. NEW-PROP

Use the NEW-PROP paragraph to add new property parameters to a databank. The NEW-PROP paragraph is not required if you use a COPY paragraph to copy data from another databank. Table 1.1 shows the maximum number of parameters per component that can be stored in each Aspen Physical Property System databank. Input Language

NEW-PROP

paramname

nelem

/

. . .

Input Language Description

paramname

Parameter name

nelem

Number of elements in the parameter

Example 1

Adding parameters to a databank

The following parameters are added to a databank: TC, PC, CPIG, PLXANT, and MW. The number of elements for each parameter is 1, 1, 11, 9, and 1. NEW-PROP

COPY and DELETE

TC

1

/

PC 1

/

CPIG 11

/

PLXANT 9

/ MW 1

Use the COPY paragraph to copy information from one databank to another. Use the DELETE paragraph to delete information from a databank. You can copy or delete data for certain properties, all properties, or all components. Input Language COPY password

COMPS=cname-list PROPS=paramname-list [NEW-NAMES=cname-list] / PAIRS=pair-list PROPS=paramname-list [NEW-NAMES=cname-list]

DELETE

Physical Property Data 11.1

COMPS=cname-list PROPS=paramname-list PAIRS=pair-list PROPS=paramname-list

/

Databanks • 1-9

Input Language Description

password

Password of the databank from which data are copied

COMPS

List of component names or aliases to be copied or deleted. There is a limit of 100 components for a COPY or DELETE paragraph. If COMPS=ALL, all components are copied. COMP=ALL is used only with the copy paragraph. You must specify the component names or aliases if you use the DELETE paragraph or if there are more than 100 components in the databank.

PROPS

List of property names to be copied or deleted. To delete a component from the databank, specify PROPS=ALL (Default=ALL).

NEW-NAMES

Optional list of new component names; used for COPY only.

PAIRS

List of component pairs to be copied or deleted, in the form (cname1 cname2) (cname3 cname4), and so on. There is a limit of 50 pairs for a COPY or DELETE paragraph. If PAIRS=(ALL ALL), all component pairs are copied. You can use PAIRS=(ALL ALL) only with the COPY paragraph. You must specify the names or aliases of the component pairs if you use the DELETE paragraph, or if the databank contains more than 100 component pairs (as defined in the NEW-COMP paragraphs).

Example: Creating a User Databank Using COPY

A user databank is created by copying data from the ASPENPCD. The components are CH4, H2O, C6H6, and C2H6O-2. The properties to be copied for each component are MW, TC, PC, VC, CPIG, PLXANT, DHVLWT, and RKTZRA. COPY

ASPENPCD PROPS=MW

COMPS=CH4 TC PC VC

H2O CPIG

C6H6 C2H6O-2 PLXANT DHVLWT RKTZRA

Example: Deleting a Component

All data for methane are deleted from the databank in Example 1. DELETE

1-10 • Databanks

COMPS=CH4

Physical Property Data 11.1

PROP-DATA

Use PROP-DATA to add parameter values to new or existing databanks. Eight sentences are associated with this command. Each sentence must start on a new line, but not in column one. You can enter parameter values in one of two ways. The PROPLIST form is more convenient when there are more parameters than components. The COMP-LIST form is more convenient when components outnumber parameters. You must enter all data in SI units, because DFMS does not perform units conversion. Only one PROP-DATA paragraph is allowed in each DFMS run. Input Language PROP-DATA PROP-LIST paramname srcode / . . . PVAL cname value-list / value-list /

. . .

PROP-LIST paramname srcode / . . . BPVAL cname1 cname2 value-list / value-list / . . . COMP-LIST cname-list CVAL paramname srcode 0 elemno value-list elemno value-list / . . .

/

COMP-LIST cname-list BCVAL paramname srcode 0 elemno cname1 value-list elemno cname2 value-list / . . .

/

Input Language Description

Physical Property Data 11.1

PROP-LIST

Used to enter parameter names and source code

paramname

Parameter name

srcode

Parameter source code. Use any integer value.

PVAL

Used to enter the PROP-LIST parameter values

cname

Component name or alias

value-list

List of parameter values. Enter one value for each element of the parameters listed in corresponding PROP-LIST sentences.

BPVAL

Used to enter the PROP-LIST binary parameter values

cname1

Component name or alias of first component of binary pair

cname2

Component name or alias of second component of binary pair

Databanks • 1-11

value-list

List of binary parameter values. Enter two values for each element of the binary parameters listed in the corresponding PROP-LIST sentence. The two values entered are for the cname1-cname2 and the cname2-cname1 pairs.

COMP-LIST

Used to enter component names or aliases; the COMP-LIST sentence cannot contain more than seven components.

cname-list

List of component names or aliases

CVAL

Used to enter the COMP-LIST parameter values

elemno

Parameter element number

value-list

List of parameter values. Enter one value for each component in the cname-list of the COMP-LIST sentence.

BCVAL

Used to enter the COMP-LIST binary parameter values

elemno

Parameter element number

cname1

Component name or alias of the component in the first row of the binary parameter matrix

cname2

Component name or alias of the component in the second row of the binary parameter matrix

value-list

List of binary parameter values. Enter one value for each component in the cname-list of the COMP-LIST sentence.

Example: Using PROP-LIST to Enter Data for Water

Enter TC, PC, and vapor pressure parameters for water (component H2O). PROP-LIST and PVAL are used, since there are more parameters than components. PROP-DATA PROP-LIST PVAL H2O

1-12 • Databanks

TC 1 / PC 1 / PLXANT 1 647.13 / 0.220550D8 / 73.6490 -7258.20 0.0 0.0 -7.3037 0.41653D-5 2.0 273.16 647.13

Physical Property Data 11.1

Example: Using COMP-LIST and CVAL

Add TC and vapor pressure parameters for H2O, C6H6, and CH4O. COMP-LIST and CVAL are used, since there are more components than parameters. PROP-DATA COMP-LIST CVAL TC 1 CVAL PLXANT 1

0 1 0 1 2 3 4 5 6 7 8 9

H2O C6H6 647.13 561.16 73.6490 78.050 -7258.20 -6275.50 0.0 0.0 0.0 0.0 -7.3037 -8.4443 0.41653D-5 -0.626D-5 2.0 2.0 273.16 278.68 647.13 561.16

CH4O 512.58 / 109.93 / -7471.30 / 0.0 / 0.0 / -13.988 / 0.15281D-1 / 1.0 / 175.47 / 512.58

Example: Using COMP-LIST and BCVAL

Add binary parameters for many components. With BCVAL, DFMS expects all possible pairs to be defined. If the pair is not in the databank, it must appear in the NEW-COMP paragraph. In this example, six pairs must be defined (C1-C1, C1-C2, C1-C3, C2-C2, C2-C3, and C3-C3). Defining C1-C2 also defines C2-C1. NEW-COMP (C1 (C1 (C1 (C2 (C2 (C3 PROP-DATA COMP-LIST BCVAL WILSON

C1) C2) C3) C2) C3) C3)

1 0 2 2 2

(C1 (C1 (C1 (C2 (C2 (C3

C1) C2) C3) C2) C3) C3)

/ / / / /

C1 C1 0.0 C2 -393.58 C3 -764.31

C2 272.98 0.0 887.28

C3 -267.60 / 503.60 / 0.0

Example: Using PROP-LIST and BPVAL

Enter the UNIQUAC binary parameters for acetone and water. The number of values entered in a BPVAL sentence is equal to twice the number of elements of the binary parameter. In this example, 190.72 is the GMUQB value for the acetone-water interaction and -56.19 is the value for the water-acetone interaction. PROP-DATA PROP-LIST GMUQB BPVAL C3H6O H2O NO-ECHO

1 -190.72

-56.19

Use NO-ECHO to suppress the echo printing of the keyword input in the report file. Input Language

NO-ECHO

Physical Property Data 11.1

Databanks • 1-13

PRINT-DIR and PRINTDATA

Use PRINT-DIR and PRINT-DATA to print the databank’s directories and parameter values, to verify that the databank was created correctly. Input Language

PRINT-DIR

password

PRINT-DATA

cname - list pair - list    ALL 

password

Input Language Description

password

Password of the databank to be printed

ALL

Print all directories or data (Default)

cname-list

List of component names or aliases. Default is ALL.

pair-list

List of pair names or aliases. Default is ALL pairs

Example: Creating a User PP1 Databank

A user PP1 databank, USRPP1A, is created with password XYZ, by copying data from the ASPENPCD. The components included are: methane, water, benzene, and ethanol. The properties copied are: MW, TC, PC, VC, CPIG, PLXANT, DHVLWT, and RKTZRA. The databank directory and values of the parameters stored in this databank are printed. TITLE

’CREATE A USER databank BY COPYING FROM THEASPENPCD’

FILE

USRPP1A

WRFILE COPY

XYZ

NEW

/

ASPENPCD

ASPENPCD

OLD

XYZ ASPENPCD PROPS=MW

PRINT-DIR PRINT-DATA

COMPS=CH4 TC PC

H2O VC

C6H6 CPIG

C2H6O-2 PLXANT

DHVLWT

RKTZRA

XYZ XYZ

END-INPUT Example: Creating a User PP2 Databank

A user PP2 databank, USRPP2A, is created with the password MYDATA. This databank stores both the pure component parameters MW, DHVLWT, and the user binary parameter USRBIN. The components included are: water, benzene, and methanol. This example illustrates the use of NEW-PROP, NEWCOMP, and PROP-DATA. Both PROP-LIST and COMP-LIST sentences are used for data entry.

1-14 • Databanks

Physical Property Data 11.1

TITLE ’USE PROP-DATA TO ENTER DATA FOR A USER PP2 databank’ FILE USRPP2A MYDATA NEW WRFILE MYDATA NEW-PROP MW 1 / DHVLWT 5 / USRBIN 1 NEW-COMP WATER H2O / BENZENE C6H6 / METHANOL CH4O / (WATER WATER) (H2O H2O) / (WATER BENZENE) (H2O C6H6) / (WATER METHANOL) (H2O CH4O) / (BENZENE BENZENE) (C6H6 C6H6) / (BENZENE METHANOL) (C6H6 CH4O) / (METHANOL METHANOL) (CH4O CH4O) PROP-DATA COMP-LIST H2O C6H6 CH4O CVAL MW 1 0 1 18.015 78.114 32.042 PROP-LIST DHVLWT 1 PVAL H2O 0.406831D+08 373.20 0.310646 0.0 273.20 PVAL C6H6 0.307814D+08 353.30 0.349117 0.0 278.70 PVAL CH4O 0.352780D+08 337.80 0.371655 0.0 175.50 COMP-LIST H2O C6H6 CH4O BCVAL USRBIN 1 0 1 H2O 0.0 200. 210. / 1 C6H6 -100. 0.0 310. / 1 CH4O -120. -130. 0.0 PRINT-DATA MYDATA END-INPUT

Databanks Available in the Aspen Physical Property System The topics listed below describe the pure component databanks that are available in the Aspen Physical Property System. Each topic includes a table of the parameters available in the databank. AQUEOUS Databank AQU92 Databank ASPENPCD Databank INORGANIC Databank PURE11 Databank PURE10 Databank PURE856 Databank PURE93 Databank SOLIDS Databank COMBUST Databank ETHYLENE Databank AQUEOUS Databank

Physical Property Data 11.1

Contains parameters for 900 ionic species. It is used for electrolytes applications. The key parameters are the aqueous heat and Gibbs free energy of formation at infinite dilution and aqueous phase heat capacity at infinite dilution. See Aqueous Component Databanks for the parameters and components available in the databank.

Databanks • 1-15

AQU92 Databank

Contains parameters for 900 ionic species. This is the AQUEOUS databank for Aspen Plus Release 9.2. This databank has been retained for upward compatibility. See Aqueous Component Databanks for the parameters and components available in the databank.

ASPENPCD Databank

Contains parameters for 472 organic and some inorganic compounds. This databank has been superseded by the PURECOMP databank as the main source of pure component parameters. The ASPENPCD is retained for upward compatibility. See Pure Component Databanks for the parameters and components available in the PURE11 databank.

INORGANIC Databank

Contains thermochemical data for about 2450 (mostly inorganic) components. The key data are the enthalpy, entropy, Gibbs free energy, and heat capacity correlation coefficients. For a given component, there can be data for a number of solid phases, a liquid phase, and the ideal gas phase. The same set of parameters are used to calculate enthalpy, entropy, Gibbs free energy and heat capacity for a given phase over a given temperature range. In order to achieve adequate accuracy of fit over a wide temperature range, multiple data ranges have been used for solid, liquid, and ideal gas phases: Number of Data Ranges

Properties

7 2 3

Solid (CPSXP1 to CPSXP7) Liquid (CPLXP1 and CPLXP2) Ideal gas (CPIXP1 and CPIXP3)

In the case of the solid phase, the multiple ranges can also refer to different solid phases of different crystal structure, for the same species. If a component has more than one solid phase, each solid phase is also defined as a separate component. For example, in addition to the component FE, there are components FE-A, FE-B, FE-C, and FE-D. Each component contains data for the different solid phases of FE. For these components, the same liquid and ideal gas parameters are used. When modeling liquid metallurgical solutions, it is common to choose liquid reference state components. However, liquid solutions may have gaseous components as reference state materials. For example, oxygen, hydrogen, nitrogen, and sulfur dissolved in alloys and other phases would have ideal gas reference states. Additionally, the reference state may be monatomic (for example, 1/2 O2(g)) or polytomic (for example, S2(g)). The INORGANIC databank contains a number of components commonly used as reference state materials, such as 1/2 O2(g).

1-16 • Databanks

Physical Property Data 11.1

The reference state for enthalpy, entropy and Gibbs free energy used in the INORGANIC databank is the elements in their standard phase at 25°C and 1 atm. Standard enthalpy of formation at 25°C is used for enthalpy while standard Gibbs free energy of formation at 25°C is used in Gibbs free energy. Since this reference state is also used in ASPENPCD, PURECOMP, and other pure component databanks, it is possible to mix data from this with those from the other Aspen Physical Property System databanks. Note that this reference state is different from that used in the Barin Data Book (Barin, 1989) compilation where the enthalpy of formation and the absolute entropy at 25°C are used. Therefore, the Gibbs free energy and entropy values computed using the INORGANIC databank will be different from those tabulated in the Barin Data Book. The INORGANIC databank is used for solids, pyrometallurgical, and electrolytes applications. See Inorganic Component Databank for the parameters and components available in the databank. PURE11 Databank

Physical Property Data 11.1

Contains parameters for over 1727 (mostly organic) components. This is the main source of pure component parameters for the Aspen Physical Property System. The databank is based on the data developed by the AIChE DIPPR® data compilation project, parameters developed by AspenTech, parameters obtained from the ASPENPCD databank, and other sources. For most calculations, the PURE11 databank contains all the property parameters you need. The parameters stored in the databank can be categorized as:. • Universal constants, such as critical temperature, and critical pressure • Temperature and property of transition, such as boiling point and triple point • Reference state properties, such as enthalpy and Gibbs free energy of formation • Coefficients for temperature-dependent thermodynamic properties, such as liquid vapor pressure • Coefficients for temperature-dependent transport properties, such as liquid viscosity • Safety properties, such as flash point and flammability limits • Functional group information for all UNIFAC models • Parameters for RKS and PR equations of state • Petroleum-related properties, such as API gravity, octane numbers, aromatic content, hydrogen content, and sulfur content

Databanks • 1-17



Other model-specific parameters, such as the Rackett and UNIQUAC parameters

The content of the main pure component databank is continually updated, expanded, and improved. Therefore, from one release of the Aspen Physical Property System to the next, certain parameter values change. This change can cause differences in your calculation results if you use the new, updated databank. To facilitate upward compatibility (that is, allowing you to obtain the same calculation results as in the previous release), the main pure component databank is named according to the major release of Aspen Plus or the Aspen Physical Property System. For example, the pure component databank from Release 8.5-6 is called PURE856 (see PURE856 databank). PURE93 and PURE10 are also available. See Pure Component Databanks for the parameters and components available in the PURE11 databank. PURE10 Databank

Contains parameters for over 1727 (mostly organic) components. It is the main pure component databank from Aspen Plus Version 10. This databank has been retained for upward compatibility. See PURE11 databank for detailed discussions. See Pure Component Databanks for the parameters and components available in the PURE10 databank.

PURE856 Databank

Contains parameters for 1,212 components. It is the main pure component databank from Aspen Plus Release 8.5-6. This databank has been retained for upward compatibility. See PURE11 databank for detailed discussions. See Pure Component Databanks for the parameters and components available in the PURE856 databank.

PURE93 Databank

Contains parameters for 1,550 components. It is the main pure component databank from Aspen Plus Release 9.3. This databank has been retained for upward compatibility. See PURE11 databank for detailed discussions. See Pure Component Databanks for the parameters and components available in the PURE93 databank.

SOLIDS Databank

Contains parameters for 3314 solid components. This databank is used for solids and electrolytes applications. This databank is largely superceded by the INORGANIC databank, but is still essential for electrolytes applications. See Solids Component Databank for the parameters and components available in the databank.

1-18 • Databanks

Physical Property Data 11.1

COMBUST Databank

The COMBUST databank is a special databank for high temperature, gas phase calculations. It contains parameters for 59 components typically found in combustion products, including free radicals. The CPIG parameters were determined from data in JANAF tables for temperatures up to 6000K (JANAF Thermochemical Tables, Dow Chemical Company, Midland, Michigan, 1979). Calculations using parameters in the ASPENPCD and PURECOMP are generally not accurate above 1500K. You may use the COMBUST databank only for ideal gas calculations (IDEAL option set) and only in the following unit operation models: MIXER, FSPLIT, SEP, SEP2, HEATER, HEATX, MHEATX, RSTOIC, RYIELD, REQUIL, RGIBBS, RCSTR, RPLUG, RBATCH, COMPR, MCOMPR, DUPL and MULT. You must enter the option NPHASE=1 for each unit operation block for which it is applicable, and for each STREAM. See Combust Component Databank for the parameters and components available in the databank.

ETHYLENE Databank

The new ETHYLENE databank contains pure component and binary interaction parameters required to model the typical ethylene process. The parameters are for the SRK property method which include the critical temperature, critical pressure, acentric factor and binary interaction parameters. The parameters are available for 85 components commonly encountered in the ethylene process. The ETHYLENE databank should be used with the PURE11 databank and the SRK property method. See Ethylene Component Databank for the parameters and components available in the databank.

Binary Parameters for Activity Coefficient Models The Aspen Physical Property System offers a comprehensive collection of built-in binary parameters for the following activity coefficient models: WILSON, NRTL, and UNIQUAC. Separate databanks are available for vapor-liquid and liquid-liquid applications. The Aspen Physical Property System also contains a large collection of Henry’s law constants. These built-in parameters are used automatically when the appropriate property methods are used. Binary Parameters for There are four databanks for vapor-liquid applications: VLE_IG, Vapor-Liquid VLE_RK, VLE_HOC, and VLE-LIT. Table 1.16 lists the Applications characteristics of these databanks.

Physical Property Data 11.1

Databanks • 1-19

The databanks VLE_IG, VLE_RK, and VLE_HOC were developed by AspenTech using binary vapor liquid equilibrium data from the Dortmund databank. To the extent possible, only thermodynamically consistent data are used. In addition to the parameter values, the databanks contain the temperature, pressure, and composition limits of the data and the quality of the fits, such as average and maximum deviations. The databank VLE_LIT contains binary parameters obtained from the literature. Built-in Binary Parameters for Vapor Liquid Systems

These Are used with these property databanks methods

VLE_IG VLE_RK

Vapor phase model

WILSON,NRTL, UNIQUAC Ideal gas WILS-RK,NRTL-RK, Redlich-Kwong UNIQ-RK VLE_HOC WILS-HOC,NRTL-HOC, UNIQ- Hayden-O’Connell HOC VLE_LIT WILSON,NRTL, UNIQUAC Ideal gas

Number of component pairs

3600 3600 3600 1200

Binary Parameters for There are two databanks for liquid-liquid applications: LLE_ASPEN and LLE_LIT. Liquid-Liquid Applications The LLE_ASPEN databank contains binary parameters for the NRTL and UNIQUAC models, and can be used with all NRTL and UNIQUAC property methods. This databank was developed by AspenTech using binary liquid-liquid equilibrium data from the Dortmund databank. The binary parameters are valid over a very wide temperature range. The systems in the databank include those exhibiting upper critical solution temperature, lower critical solution temperature, and closed loops. The databank LLE_LIT contains binary parameters obtained from the literature for the UNIQUAC model. These binary parameters were determined from both binary and ternary liquid-liquid equilibrium data. They are valid for the temperature range 20 – 30°C. For accurate representation of multicomponent liquid-liquid systems, binary parameters should be obtained from regression of binary and ternary LLE data in the operating range of the process. Use the Data Regression System to regress the parameters (see the Aspen Plus User Guide, Chapter 31 or the Aspen Properties User Guide). Henry’s Law Constants

1-20 • Databanks

There are two databanks of Henry's law constants: HENRY and BINARY. The HENRY databank is developed by AspenTech using gas-liquid equilibrium data from the Dortmund databank. It

Physical Property Data 11.1

contains over 1600 sets of Henry’s constants for a wide variety of solutes in solvents. The solvents are not limited to water. The BINARY databank contains Henry’s constants obtained from the literature. It has data for about 60 solutes in water.

Electrolytes Model Parameters The Aspen Physical Property System contains built-in parameters for the Pitzer and electrolyte NRTL models. The Pitzer Parameter

Many binary Pitzer model parameters are available in the Aspen Physical Property System. This databank contains parameters for over 200 electrolyte pairs. All parameters were taken from the Pitzer series of papers. Only cation-anion parameters, cation-cation parameters, and anion-anion parameters are stored in the databank. There are no parameters for cation1-cation2-anion interaction, anion1-anion2-cation interaction, molecule-ion interaction, or molecule-molecule interaction. If you do not enter the Pitzer parameters on a Properties.Parameters form, the Aspen Physical Property System automatically retrieves from the databank the necessary parameters for a specific ion-ion pair. If the parameters are unavailable, the default value of zero is used. The Pitzer parameters are available only on the Calculation Engine. They are not displayed on the Properties Parameters forms.

The Electrolyte NRTL Parameters

Electrolyte NRTL parameters are available in the Aspen Physical Property System. This databank contains the nonrandomness factor (GMELCN), and energy parameters (GMELCC, GMELCD, GMELCE) for many molecule-electrolyte and electrolyteelectrolyte pairs. The databank also contains the binary parameters (NRTL) for molecule-molecule interactions. This databank is part of the electrolyte expert system and is searched automatically when the ELECNRTL property method is used. Parameters for a given pair are not retrieved if you enter the parameters on the Properties.Parameters form. You can access the electrolyte expert system using the Electrolyte Wizard button on the Components Specifications Selection sheet. See Electrolytes Data for detailed information on the electrolytes systems used to develop the parameter databank, the solution chemistry used, the source of data, and the application ranges. Barin, I. (1989). Thermochemical Data of Pure Substances. VCH Verlagsgesellschaft, FRG.

Physical Property Data 11.1

Databanks • 1-21

Pure Component Databanks The tables below list the components present in the pure component databanks PURE11, PURE10, PURE93, PURE856, and ASPENPCD. Components beginning with:

Pure Component Databank Parameters

C1

C2

C3

C4

C5

C6

C7

C8

C9

C10

C11

C12

C13

C14

C15

C16

C17

C18

C19

C20

C21+ Al

B

Ca

Cl

Fe

H

K

N

Na

O

S

Si

Other elements

P

Available in Databank Parameter Name

Description

AIT ANILPT API AROMATIC

Auto ignition temperature X Aniline point X Standard API gravity at 60°F X Aromatic content (1=aromatic, 0=non- X aromatic) Vector containing the atom types X (atomic numbers) for a given molecule (e.g., H=1, C=6, O=8). Must use the vector NOATOM to define the number of occurrences of each atom. Dielectric constant X Ideal gas heat capacity coefficients DIPPR ideal gas heat capacity X coefficients DIPPR liquid heat capacity coefficients X DIPPR solid heat capacity coefficients X Difference between liquid and solid heat X capacity at the Triple point Solubility parameter at 298.2 K X Standard Gibbs free energy of X formation; ideal gas at 298.2 K Standard heat of formation; ideal gas at X 298.2 K Cavett enthalpy departure parameter Heat of vaporization at TB X DIPPR heat of vaporization coefficients X

ATOMNO

CPDIEC CPIG CPIGDP CPLDIP CPSDIP DCPLS DELTA DGFORM DHFORM DHLCVT DHVLB DHVLDP

1-22 • Databanks

Heating Fluids

P11 P10 P93 P856PCD

X X X

X X X

X

X

X

X

X

X

X

X

X

X X X

X X X

X X

X X

X X

X X

X X

X

X

X

X

X X

X X

X

X X

X X

Physical Property Data 11.1

X X

Available in Databank Parameter Name

DHVLWT DNLDIP DNSDIP ENT

Description

P11 P10 P93 P856PCD

Watson heat of vaporization parameters DIPPR liquid density coefficients DIPPR solid density coefficients Absolute entropy of formation at 298.2 K FLML Lower flammability limit FLMU Upper flammability limit FP Flash point FREEZEPT Normal freezing point (see also TFP) GMUQQ UNIQUAC area parameter GMUQR UNIQUAC volume parameter HCOM Standard enthalpy of combustion at 298.2 K HFUS Enthalpy of fusion at melting point HYDROGEN Hydrogen content (weight fraction) KLDIP DIPPR liquid thermal conductivity coefficients KVDIP DIPPR vapor thermal conductivity coefficients MOCTNO Motor octane number MULAND Andrade liquid viscosity coefficients MULDIP DIPPR liquid viscosity coefficients MUP Dipole moment MUVDIP DIPPR vapor viscosity coefficients MW Molecular weight NAPHTHEN Naphthene content (1=naphthenic, 0=non-naphthenic) NATOM Vector containing numbers of C, H, O, N, S, F, Cl, Br, I, Ar, and He atoms NOATOM Vector containing the number of occurrences of each atom defined in ATOMNO for a given molecule. ATOMNO and NOATOM define the chemical formula of the molecule. NTHA Nothnagel parameters OLEFIN Olefin content (1=olefin, 0=non-olefin) OMEGA Pitzer acentric factor OMGCTD Acentric factor for the COSTALD model OXYGEN Oxygen content (weight fraction)

Physical Property Data 11.1

X X X X

X X X

X X X

X X X

X X X X X X X

X X X

X X X

X X X

X X X

X X X

X X X

X X X

X

X

X

X

X

X

X

X

X

X

X

X

X

X X

X X X X X X

X X X X

X X X X

X X X X

X X

X X

X

X

X X X X

X

X

X X

X X

X

X X X

X

Databanks • 1-23

X X

Available in Databank Parameter Name

Description

P11 P10 P93 P856PCD

PARAFFIN

Paraffin content (1=paraffin, 0=nonparaffin) Critical pressure Cavett vapor pressure coefficients Extended Antoine vapor pressure coefficients Mathias-Copeman parameters for PR equation of state Schwartzentruber-Renon parameters for PR equation of state Radius of gyration Refractive index at 298.2 K Mathias-Copeman parameters for RKS equation of state Schwartzentruber-Renon parameters for RKS equation of state Rackett liquid density parameter Research octane number Standard specific gravity at 60°F DIPPR surface tension coefficients Sulfur content (weight fraction) Second virial coefficient Normal boiling point Critical temperature Normal freezing point (see also FREEZEPT) Total nitrogen content (weight fraction) Triple point pressure Triple point temperature Functional group information for the UNIFAC model Functional group information for the Dortmund modified UNIFAC model Functional group information for the Lyngby modified UNIFAC model Liquid molar volume at TB Critical volume Scatchard-Hildebrand characteristic volume parameter Standard liquid volume at 60°F

X

PC PLCAVT PLXANT PRMCP PRSRP RGYR RI RKSMCP RKSSRP RKTZRA ROCTNO SG SIGDIP SULFUR SVRDIP TB TC TFP TOTAL-N2 TPP TPT UFGRP UFGRPD UFGRPL VB VC VLCVT1 VLSTD 1-24 • Databanks

X

X

X

X

X

X

X

X

X

X

X

X

X

X

X X X

X X X

X X X

X

X

X

X X X X X X X X

X X X X

X X X

X X

X

X X X X

X

X

X X X X

X X X X

X X X X

X X X

X X X X

X X X

X X X

X X X

X

X

X

X

X

X

X

X X X

X X X

X X X

X X

X X X

X

X

X

X

X

X X

Physical Property Data 11.1

Available in Databank Parameter Name

Description

VSTCTD

Characteristic volume for the X COSTALD model Water solubility correlation coefficients X Critical compressibility factor X

WATSOL ZC

P11 P10 P93 P856PCD

X

X

X X

X X

X

X

X

X X

These parameters are not used in Aspen Plus models but can be accessed by user or in-house models: AIT, ENT, FLML, FLMU, SVRDIP, TPP Vectors ATOMNO and NOATOM together form the chemical formula of the compound. They are used to compute molecular weight and are used in RGIBBS. UFGRP, UFGRPD, UFGRPL contain functional group number and number of occurrences of each group. P11 = PURE11 Databank P10 = PURE10 Databank P93 = PURE93 Databank P856 = PURE856 Databank PCD = ASPENPCD Databank Pure Component Databanks: Al

Pure Component Databanks: B

Physical Property Data 11.1

Available in Databank Alias

Name

P11 P10 P93 P856PCD

AL AL(OH)3 AL2(SO4)3 AL2O3 ALCL3 ALPO4-O

ALUMINIUM ALUMINIUM-HYDROXIDE ALUMINIUM-SULFATE ALUMINIUM-OXIDE-ALPHA-CORUNDUM ALUMINIUM-CHLORIDE ALUMINIUM-PHOSPHATE-ORTHO

X X X X X X

X X X X X X

X X X X X X

X X X X X X

Available in Databank Alias

Name

P11 P10 P93 P856PCD

B2H6 B4H20NA2O17 BCL3 BF3

DIBORANE BORAX BORON-TRICHLORIDE BORON-TRIFLUORIDE

X X X X

X X X X

X X X X

X X X X

Databanks • 1-25

X X

Pure Component Databanks: C1

1-26 • Databanks

Available in Databank Alias

Name

P11 P10 P93 P856PCD

C CBR2F2 CBRCL3 CBRCLF2 CBRF3 CCL2F2 CCL2O CCL3F CCL4 CCLF3 CCLN CF4 CH2BR2 CH2BRCL CH2CL2 CH2CLF CH2F2 CH2I2 CH2O CH2O2 CH3BR CH3CL CH3F CH3I CH3NO CH3NO2 CH3SICL3 CH4 CH4N2O CH4N2S CH4O CH4O3S CH4S CH4SICL2 CH5N CH5SICL CH6N2 CH6SI CHBR3 CHBRF2 CHCL2F CHCL3 CHCLF2 CHF3 CHN

CARBON-GRAPHITE DIBROMODIFLUOROMETHANE BROMOTRICHLOROMETHANE BROMOCHLORODIFLUOROMETHANE TRIFLUOROBROMOMETHANE DICHLORODIFLUOROMETHANE PHOSGENE TRICHLOROFLUOROMETHANE CARBON-TETRACHLORIDE CHLOROTRIFLUOROMETHANE CYANOGEN-CHLORIDE CARBON-TETRAFLUORIDE DIBROMOMETHANE BROMOCHLOROMETHANE DICHLOROMETHANE CHLOROFLUOROMETHANE DIFLUOROMETHANE DIIODOMETHANE FORMALDEHYDE FORMIC-ACID METHYL-BROMIDE METHYL-CHLORIDE METHYL-FLUORIDE METHYL-IODIDE FORMAMIDE NITROMETHANE METHYL-TRICHLOROSILANE METHANE UREA THIOUREA METHANOL METHANESULFONIC-ACID METHYL-MERCAPTAN METHYL-DICHLOROSILANE METHYL-AMINE METHYL-CHLOROSILANE METHYL-HYDRAZINE METHYL-SILANE TRIBROMOMETHANE BROMODIFLUOROMETHANE DICHLOROMONOFLUOROMETHANE CHLOROFORM CHLORODIFLUOROMETHANE TRIFLUOROMETHANE HYDROGEN-CYANIDE

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Pure Component Databanks: C2

Physical Property Data 11.1

Alias

Name

P11 P10 P93 P856PCD

CN4O8 CO CO2 COF2 COS CS2

TETRANITROMETHANE CARBON-MONOXIDE CARBON-DIOXIDE CARBONYL-FLUORIDE CARBONYL-SULFIDE CARBON-DISULFIDE

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P11 P10 P93 P856PCD

C2BR2F4 C2BRF3 C2CL2F4-1 C2CL2F4-2 C2CL3F3 C2CL3F3-D1 C2CL4 C2CL4F2 C2CL4F2-D1 C2CL4O C2CL5F C2CL6 C2CLF3 C2CLF5 C2F4 C2F6 C2H2 C2H2BR4 C2H2CL2-D1 C2H2CL2-D2 C2H2CL2-D3 C2H2CL2O C2H2CL2O-D1 C2H2CL2O2 C2H2CL3F C2H2CL4-D1 C2H2CL4-D2 C2H2CLF3 C2H2F2 C2H2F4 C2H2F4-D1 C2H2F4O C2H2O C2H2O2 C2H2O4 C2H3BR

1,2-DIBROMOTETRAFLUOROETHANE BROMOTRIFLUOROETHYLENE 1,1-DICHLORO-1,2,2,2-TETRAFLUORO 1,2-DICHLORO-1,1,2,2-TETRAFLUORO 1,2,2-TRICHLORO-1,1,2-TRIFLUOROE 1,1,1-TRICHLOROTRIFLUOROETHANE TETRACHLOROETHYLENE 1,1,2,2-TETRACHLORO-1,2-DIFLUORO 1,1,1,2-TETRACHLORODIFLUOROETHAN TRICHLOROACETYL-CHLORIDE PENTACHLOROFLUOROETHANE HEXACHLOROETHANE CHLOROTRIFLUOROETHYLENE CHLOROPENTAFLUOROETHANE PERFLUOROETHENE PERFLUOROETHANE ACETYLENE 1,1,2,2-TETRABROMOETHANE 1,1-DICHLOROETHYLENE CIS-1,2-DICHLOROETHYLENE TRANS-1,2-DICHLOROETHYLENE CHLOROACETYL-CHLORIDE DICHLOROACETALDEHYDE DICHLOROACETIC-ACID 1,1,1-TRICHLOROFLUOROETHANE 1,1,1,2-TETRACHLOROETHANE 1,1,2,2-TETRACHLOROETHANE 2-CHLORO-1,1,1-TRIFLUOROETHANE 1,1-DIFLUOROETHYLENE 1,1,1,2-TETRAFLUOROETHANE 1,1,2,2-TETRAFLUOROETHANE BIS-DIFLUOROMETHYL-ETHER KETENE GLYOXAL OXALIC-ACID VINYL-BROMIDE

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1-28 • Databanks

Alias

Name

P11 P10 P93 P856PCD

C2H3CL C2H3CL2F C2H3CL3 C2H3CL3-D0 C2H3CLF2 C2H3CLO C2H3CLO-D0 C2H3CLO2 C2H3CLO2-D1 C2H3F C2H3F3 C2H3F3-D1 C2H3N C2H3NAO2 C2H3NO C2H3NO-E1 C2H3O2LI C2H3SICL3 C2H4 C2H4BR2 C2H4BR2-D1 C2H4CL2-1 C2H4CL2-2 C2H4CL2O C2H4F2 C2H4F2-D1 C2H4N2 C2H4N2O6 C2H4N4 C2H4O-1 C2H4O-2 C2H4O2-1 C2H4O2-2 C2H4O2S C2H4O3-D1 C2H4O3-D2 C2H4S C2H5BR C2H5CL C2H5CLO C2H5CLO-D1 C2H5F C2H5I C2H5N C2H5NO-D1

VINYL-CHLORIDE 1,1-DICHLORO-1-FLUOROETHANE 1,1,2-TRICHLOROETHANE 1,1,1-TRICHLOROETHANE 1-CHLORO-1,1-DIFLUOROETHANE ACETYL-CHLORIDE CHLOROACETALDEHYDE CHLOROACETIC-ACID METHYL-CHLOROFORMATE VINYL-FLUORIDE 1,1,1-TRIFLUOROETHANE 1,1,2-TRIFLUOROETHANE ACETONITRILE SODIUM-ACETATE METHYL-ISOCYANATE HYDROXYACETONITRILE LITHIUM-ACETATE VINYLTRICHLOROSILANE ETHYLENE 1,2-DIBROMOETHANE 1,1-DIBROMOETHANE 1,1-DICHLOROETHANE 1,2-DICHLOROETHANE BIS-CHLOROMETHYL-ETHER 1,1-DIFLUOROETHANE 1,2-DIFLUOROETHANE AMINOACETONITRILE ETHYLENE-GLYCOL-DINITRATE DICYANDIAMIDE ACETALDEHYDE ETHYLENE-OXIDE ACETIC-ACID METHYL-FORMATE THIOGLYCOLIC-ACID GLYCOLIC-ACID PERACETIC-ACID THIACYCLOPROPANE ETHYL-BROMIDE ETHYL-CHLORIDE 2-CHLOROETHANOL CHLOROMETHYL-METHYL-ETHER ETHYL-FLUORIDE ETHYL-IODIDE ETHYLENE-IMINE ACETAMIDE

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Physical Property Data 11.1

Alias

Name

P11 P10 P93 P856PCD

C2H5NO-D2 C2H5NO-D3 C2H5NO2 C2H5NO2-D1 C2H6 C2H6ALCL C2H6O-1 C2H6O-2 C2H6O2 C2H6O4S C2H6OS C2H6OS-D1 C2H6S-1 C2H6S-2 C2H6S2 C2H6S2-D1 C2H6SICL2 C2H7N-1 C2H7N-2 C2H7NO C2H7NO2 C2H7SICL C2H8N2 C2H8N2O4 C2H8P2O6 C2H8SI C2HBRCLF3 C2HCL2F3-D1 C2HCL2F3-D2 C2HCL2F3-D3 C2HCL3 C2HCL3O C2HCL3O-D1 C2HCL3O2 C2HCL5 C2HCLF2 C2HCLF4 C2HF3O2 C2HF5 C2N2

N-METHYLFORMAMIDE ACETALDOXIME NITROETHANE GLYCINE ETHANE DIMETHYLALUMINUM-CHLORIDE DIMETHYL-ETHER ETHANOL ETHYLENE-GLYCOL DIMETHYL-SULFATE DIMETHYL-SULFOXIDE 2-MERCAPTOETHANOL ETHYL-MERCAPTAN DIMETHYL-SULFIDE DIMETHYL-DISULFIDE 1,2-ETHANEDITHIOL DIMETHYLDICHLOROSILANE ETHYL-AMINE DIMETHYLAMINE MONOETHANOLAMINE AMMONIUM-ACETATE DIMETHYLCHLOROSILANE ETHYLENEDIAMINE AMMONIUM-OXALATE 1,2-ETHANE-DIPHOSPHONIC-ACID DIMETHYL-SILANE HALOTHANE 1,1-DICHLORO-2,2,2-TRIFLUOROETHA 1,2-DICHLORO-1,1,2-TRIFLUOROETHA 2,2-DICHLORO-1,1,2-TRIFLUOROETHA TRICHLOROETHYLENE DICHLOROACETYL-CHLORIDE TRICHLOROACETALDEHYDE TRICHLOROACETIC-ACID PENTACHLOROETHANE 2-CHLORO-1,1-DIFLUOROETHYLENE 2-CHLORO-1,1,1,2-TETRAFLUOROETHA TRIFLUOROACETIC-ACID PENTAFLUOROETHANE CYANOGEN

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Pure Component Databanks: C3

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Available in Databank Alias

Name

P11 P10 P93 P856PCD

C3CL2F6 C3F6 C3F6O C3F8 C3H10N2 C3H10N2-D1 C3H10SI C3H10SIO3 C3H2F6 C3H2N2 C3H3CL C3H3F3 C3H3F5 C3H3F5O C3H3N C3H3NO C3H4-1 C3H4-2 C3H4CL2 C3H4N2 C3H4O C3H4O-D0 C3H4O2-1 C3H4O2-2 C3H4O2-D0 C3H4O3 C3H4O3-D1 C3H4O4 C3H5CL C3H5CL-D0 C3H5CL3 C3H5CLO C3H5CLO2 C3H5CLO2-D1 C3H5N C3H5N3O9 C3H5NO C3H5NO-D1 C3H5NO-D2 C3H6-1 C3H6-2 C3H6CL2 C3H6CL2-D1 C3H6CL2-D2 C3H6CL2O-D1

1,3-DICHLOROHEXAFLUOROPROPANE HEXAFLUOROPROPYLENE HEXAFLUOROACETONE OCTAFLUOROPROPANE 1,2-PROPANEDIAMINE 1,3-PROPANEDIAMINE TRIMETHYL-SILANE TRIMETHOXYSILANE 1,1,1,2,3,3-HEXAFLUOROPROPANE MALONONITRILE PROPARGYL-CHLORIDE 3,3,3-TRIFLUOROPROPENE 1,1,1,2,2-PENTAFLUOROPROPANE 2-DIFLUOROMETHOXY-1,1,1-TRIFLURO ACRYLONITRILE OXAZOLE PROPADIENE METHYL-ACETYLENE 2,3-DICHLOROPROPENE PYRAZOLE ACROLEIN PROPARGYL-ALCOHOL ACRYLIC-ACID VINYL-FORMATE BETA-PROPIOLACTONE ETHYLENE-CARBONATE PYRUVIC-ACID MALONIC-ACID ALLYL-CHLORIDE 2-CHLOROPROPENE 1,2,3-TRICHLOROPROPANE ALPHA-EPICHLOROHYDRIN METHYL-CHLOROACETATE ETHYL-CHLOROFORMATE PROPIONITRILE NITROGLYCERINE LACTONITRILE ACRYLAMIDE HYDRACRYLONITRILE CYCLOPROPANE PROPYLENE 1,2-DICHLOROPROPANE 1,1-DICHLOROPROPANE 1,3-DICHLOROPROPANE 1,3-DICHLORO-2-PROPANOL

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Physical Property Data 11.1

Alias

Name

P11 P10 P93 P856PCD

C3H6CL2O-D2 C3H6N6 C3H6O-1 C3H6O-2 C3H6O-3 C3H6O-4 C3H6O-5 C3H6O-D0 C3H6O2-1 C3H6O2-2 C3H6O2-3 C3H6O2-D1 C3H6O2-D2 C3H6O2S C3H6O3 C3H6O3-D1 C3H6O3-D2 C3H6O3-D3 C3H6S C3H6SICL2 C3H7BR-D1 C3H7BR-D2 C3H7CL-1 C3H7CL-2 C3H7CLO2 C3H7I-D1 C3H7I-D2 C3H7N C3H7N-D1 C3H7NO C3H7NO-D1 C3H7NO2-D1 C3H7NO2-D2 C3H8 C3H8O-1 C3H8O-2 C3H8O-3 C3H8O2 C3H8O2-1 C3H8O2-2 C3H8O2-3 C3H8O3 C3H8S C3H8S-D1 C3H8S-E1

2,3-DICHLORO-1-PROPANOL MELAMINE ACETONE ALLYL-ALCOHOL N-PROPIONALDEHYDE PROPYLENE-OXIDE VINYL-METHYL-ETHER 1,3-PROPYLENE-OXIDE PROPIONIC-ACID ETHYL-FORMATE METHYL-ACETATE ACETOL 2,3-EPOXY-1-PROPANOL 3-MERCAPTOPROPIONIC-ACID METHOXYACETIC-ACID LACTIC-ACID TRIOXANE DIMETHYL-CARBONATE TRIMETHYLENE-SULFIDE METHYL-VINYL-DICHLOROSILANE 1-BROMOPROPANE 2-BROMOPROPANE PROPYL-CHLORIDE ISOPROPYL-CHLORIDE 3-CHLORO-1,2-PROPANEDIOL ISOPROPYL-IODIDE N-PROPYL-IODIDE ALLYLAMINE PROPYLENEIMINE N,N-DIMETHYLFORMAMIDE N-METHYLACETAMIDE 1-NITROPROPANE 2-NITROPROPANE PROPANE 1-PROPANOL ISOPROPYL-ALCOHOL METHYL-ETHYL-ETHER 2-METHOXYETHANOL METHYLAL PROPANEDIOL-1,2 1,3-PROPANEDIOL GLYCEROL METHYL-ETHYL-SULFIDE ISOPROPYL-MERCAPTAN N-PROPYLMERCAPTAN

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Pure Component Databanks: C4

Alias

Name

P11 P10 P93 P856PCD

C3H9AL C3H9GA C3H9N-1 C3H9N-2 C3H9N-3 C3H9NO C3H9NO-D1 C3H9NO-D2 C3H9NO2 C3H9O4P C3H9SICL C3HF7

TRIMETHYLALUMINUM TRIMETHYLGALLIUM N-PROPYL-AMINE ISOPROPYL-AMINE TRIMETHYL-AMINE METHYL-ETHANOLAMINE 1-AMINO-2-PROPANOL 3-AMINO-1-PROPANOL AMMONIUM-PROPIONATE TRIMETHYL-PHOSPHATE TRIMETHYLCHLOROSILANE 1,1,1,2,3,3,3-HEPTAFLUOROPROPANE

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P11 P10 P93 P856PCD

C4CL2F6

1,2DICHLOROHEXAFLUOROCYCLOBUTAN TETRACHLOROTHIOPHENE HEXACHLORO-1,3-BUTADIENE DECAFLUOROBUTANE OCTAFLUORO-2-BUTENE OCTAFLUOROCYCLOBUTANE N-BUTANE ISOBUTANE PIPERAZINE N-BUTANOL 2-BUTANOL ISOBUTANOL TERT-BUTYL-ALCOHOL DIETHYL-ETHER METHYL-ISOPROPYL-ETHER METHYL-N-PROPYL-ETHER 1,2-DIMETHOXYETHANE 1,3-BUTANEDIOL N-BUTYLHYDROPEROXIDE 1,4-BUTANEDIOL T-BUTYL-HYDROPEROXIDE 2-ETHOXYETHANOL 2,3-BUTANEDIOL 1,2-BUTANEDIOL PG-MONOMETHYL-ETHER 2-METHYL-1,3-PROPANEDIOL 2-METHOXY-PROPANOL-1 THIODIGLYCOL DIETHYLENE-GLYCOL

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C4CL4S C4CL6 C4F10 C4F8-D1 C4F8-D2 C4H10-1 C4H10-2 C4H10N2 C4H10O-1 C4H10O-2 C4H10O-3 C4H10O-4 C4H10O-5 C4H10O-D1 C4H10O-D2 C4H10O2 C4H10O2-D1 C4H10O2-D10 C4H10O2-D2 C4H10O2-D3 C4H10O2-D4 C4H10O2-D5 C4H10O2-D6 C4H10O2-D7 C4H10O2-D8 C4H10O2-D9 C4H10O2S C4H10O3

1-32 • Databanks

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Physical Property Data 11.1

Alias

Name

P11 P10 P93 P856PCD

C4H10O4S C4H10OS C4H10OS2 C4H10S C4H10S-D1 C4H10S-D2 C4H10S-D3 C4H10S-E1 C4H10S-E2 C4H10S2 C4H10SO3 C4H11N-1 C4H11N-2 C4H11N-3 C4H11N-D1 C4H11N-D2 C4H11NO C4H11NO-D1 C4H11NO-D2 C4H11NO2-1 C4H11NO2-2 C4H12N2O C4H12SI C4H12SIO2 C4H13N3 C4H2N2-D1 C4H2N2-D2 C4H2O3 C4H4 C4H4N2 C4H4N2-D1 C4H4N2-D2 C4H4N2-D3 C4H4O C4H4O2 C4H4O3 C4H4O4-D1 C4H4O4-D2 C4H4S C4H5CL C4H5N C4H5N-1 C4H5N-2 C4H5N-E1 C4H5N-E3

DIETHYL-SULFATE ETHYLTHIOETHANOL DIMERCAPTOETHYL-ETHER DIETHYL-SULFIDE N-BUTYL-MERCAPTAN TERT-BUTYL-MERCAPTAN METHYL-N-PROPYL-SULFIDE SEC-BUTYL-MERCAPTAN ISOBUTYL-MERCAPTAN DIETHYL-DISULFIDE DIETHYLSULFITE N-BUTYL-AMINE ISOBUTYL-AMINE DIETHYL-AMINE SEC-BUTYLAMINE TERT-BUTYLAMINE DIMETHYLETHANOLAMINE 3-METHOXYISOPROPYLAMINE N,N-DIETHYLHYDROXYLAMINE DIETHANOLAMINE DIGLYCOLAMINE N-AMINOETHYL-ETHANOLAMINE TETRAMETHYLSILANE DIMETHYLDIMETHOXYSILANE DIETHYLENE-TRIAMINE FUMARONITRILE MALEONITRILE MALEIC-ANHYDRIDE VINYLACETYLENE SUCCINONITRILE PYRAZINE PYRIDAZINE PYRIMIDINE FURAN DIKETENE SUCCINIC-ANHYDRIDE FUMARIC-ACID MALEIC-ACID THIOPHENE CHLOROPRENE METHACRYLONITRILE ALLYL-CYANIDE PYRROLE TRANS-CROTONITRILE CIS-CROTONITRILE

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1-34 • Databanks

Alias

Name

P11 P10 P93 P856PCD

C4H5N3 C4H5NO C4H5NO2 C4H6-1 C4H6-2 C4H6-3 C4H6-4 C4H6CL2 C4H6CL2-E1 C4H6CL2-E2 C4H6CL2-E3 C4H6O C4H6O-D1 C4H6O-D2 C4H6O-D3 C4H6O-D4 C4H6O2-1 C4H6O2-2 C4H6O2-D1 C4H6O2-D2 C4H6O2-D3 C4H6O2-D4 C4H6O2-D5 C4H6O2S C4H6O3 C4H6O3-D1 C4H6O4-1 C4H6O4-2 C4H6O5 C4H6O5-D1 C4H6O6 C4H7CLO2 C4H7N C4H7N-D0 C4H7NO-D1 C4H7NO-D2 C4H7NO-E1 C4H7NO-E2 C4H8-1 C4H8-2 C4H8-3 C4H8-4 C4H8-5 C4H8CL2 C4H8CL2-D1

2,2-IMINOBIS-ACETONITRILE ACROLEIN-CYANOHYDRIN METHYL-CYANOACETATE 1-BUTYNE 2-BUTYNE 1,2-BUTADIENE 1,3-BUTADIENE 1,4-DICHLORO-TRANS-2-BUTENE 1,3-DICHLORO-TRANS-2-BUTENE 3,4-DICHLORO-1-BUTENE 1,4-DICHLORO-CIS-2-BUTENE 2,5-DIHYDROFURAN TRANS-CROTONALDEHYDE DIVINYL-ETHER METHACROLEIN 2,3-DIHYDROFURAN VINYL-ACETATE METHYL-ACRYLATE 2-BUTYNE-1,4-DIOL GAMMA-BUTYROLACTONE CIS-CROTONIC-ACID TRANS-CROTONIC-ACID METHACRYLIC-ACID SULFOLENE ACETIC-ANHYDRIDE PROPYLENE-CARBONATE DIMETHYL-OXALATE SUCCINIC-ACID DIGLYCOLIC-ACID MALIC-ACID TARTARIC-ACID ETHYLCHLOROACETATE BUTYRONITRILE ISOBUTYRONITRILE ACETONE-CYANOHYDRIN 2-PYRROLIDONE 2-METHACRYLAMIDE 3-METHOXYPROPIONITRILE 1-BUTENE CIS-2-BUTENE TRANS-2-BUTENE CYCLOBUTANE ISOBUTYLENE 1,4-DICHLOROBUTANE 1,2-DICHLOROBUTANE

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Physical Property Data 11.1

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Available in Databank

Pure Component Databanks: C5

Physical Property Data 11.1

Alias

Name

P11 P10 P93 P856PCD

C4H8CL2-D2 C4H8CL2O C4H8O C4H8O-1 C4H8O-2 C4H8O-3 C4H8O-4 C4H8O-5 C4H8O-D1 C4H8O2-1 C4H8O2-2 C4H8O2-3 C4H8O2-4 C4H8O2-5 C4H8O2-6 C4H8O2-D1 C4H8O2-D2 C4H8O2-D3 C4H8O2-D4 C4H8O2-D5 C4H8O2-D6 C4H8O2S C4H8O3 C4H8O3-D1 C4H8OS C4H8S C4H9BR-D1 C4H9BR-D2 C4H9CL-1 C4H9CL-2 C4H9CL-3 C4H9CL-D1 C4H9I C4H9N C4H9NO C4H9NO-D0 C4H9NO2

2,3-DICHLOROBUTANE X DICHLOROETHYL-ETHER X 1,2-EPOXYBUTANE X N-BUTYRALDEHYDE X ISOBUTYRALDEHYDE X METHYL-ETHYL-KETONE X TETRAHYDROFURAN X VINYL-ETHYL-ETHER X 1,2-EPOXY-2-METHYLPROPANE X N-BUTYRIC-ACID X 1,4-DIOXANE X ETHYL-ACETATE X ISOBUTYRIC-ACID X METHYL-PROPIONATE X N-PROPYL-FORMATE X ACETALDOL X CIS-2-BUTENE-1,4-DIOL X TRANS-2-BUTENE-1,4-DIOL X 1,3-DIOXANE X 3-HYDROXY-2-METHYL-PROPIONALDEHY X 4-HYDROXYBUTYRALDEHYDE X SULFOLANE X METHYL-LACTATE X ALPHA-HYDROXYISOBUTYRIC-ACID X 3-METHYLMERCAPTO-PROPANAL X TETRAHYDROTHIOPHENE X 1-BROMOBUTANE X 2-BROMOBUTANE X 1-CHLOROBUTANE X 2-CHLOROBUTANE X TERT-BUTYL-CHLORIDE X ISOBUTYL-CHLORIDE X N-BUTYL-IODIDE X PYRROLIDINE X MORPHOLINE X N,N-DIMETHYLACETAMIDE X 1-NITROBUTANE X

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Available in Databank Alias

Name

P11 P10 P93 P856PCD

C5CL6 C5H10-1 C5H10-2 C5H10-3 C5H10-4

HEXACHLOROCYCLOPENTADIENE CYCLOPENTANE 1-PENTENE CIS-2-PENTENE TRANS-2-PENTENE

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Alias

Name

P11 P10 P93 P856PCD

C5H10-5 C5H10-6 C5H10-7 C5H10CL2 C5H10NNAS2 C5H10O-1 C5H10O-2 C5H10O-3 C5H10O-4 C5H10O2 C5H10O2-1 C5H10O2-2 C5H10O2-3 C5H10O2-4 C5H10O2-5 C5H10O2-6 C5H10O2-D1 C5H10O2-D2 C5H10O2-D3 C5H10O2-D4 C5H10O2-D5 C5H10O2-D6 C5H10O2-D7 C5H10O2S C5H10O3-D1 C5H10O3-D2 C5H11CL C5H11N C5H11N-D0 C5H11N-D1 C5H11NO C5H12-1 C5H12-2 C5H12-3 C5H12O C5H12O-1 C5H12O-2 C5H12O-3 C5H12O-4 C5H12O-5 C5H12O-6 C5H12O-D1 C5H12O-D2 C5H12O-D3 C5H12O-D4

2-METHYL-1-BUTENE 2-METHYL-2-BUTENE 3-METHYL-1-BUTENE 1,5-DICHLOROPENTANE SODIUM-DIETHYLDITHIOCARBAMATE VALERALDEHYDE METHYL-N-PROPYL-KETONE METHYL-ISOPROPYL-KETONE DIETHYL-KETONE NEOPENTANOIC-ACID N-VALERIC-ACID ISOBUTYL-FORMATE N-PROPYL-ACETATE ETHYL-PROPIONATE METHYL-BUTYRATE METHYL-ISOBUTYRATE N-BUTYL-FORMATE ISOPROPYL-ACETATE ISOVALERIC-ACID 2-METHYLBUTYRIC-ACID TETRAHYDROFURFURYL-ALCOHOL SEC-BUTYL-FORMATE TERT-BUTYL-FORMATE 3-METHYL-SULFOLANE DIETHYL-CARBONATE ETHYL-LACTATE 1-CHLOROPENTANE PIPERIDINE N-METHYLPYRROLIDINE CYCLOPENTYLAMINE TERT-BUTYLFORMAMIDE N-PENTANE 2-METHYL-BUTANE 2,2-DIMETHYL-PROPANE METHYL-SEC-BUTYL-ETHER 1-PENTANOL 2-METHYL-1-BUTANOL 3-METHYL-1-BUTANOL 2-METHYL-2-BUTANOL 2,2-DIMETHYL-1-PROPANOL ETHYL-PROPYL-ETHER 3-METHYL-2-BUTANOL METHYL-TERT-BUTYL-ETHER 2-PENTANOL 3-PENTANOL

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P11 P10 P93 P856PCD

C5H12O-D5 C5H12O-E1 C5H12O-E2 C5H12O2-D1 C5H12O2-D2 C5H12O2-D3

ETHYL-ISOPROPYL-ETHER METHYL-ISOBUTYL-ETHER METHYL-N-BUTYL-ETHER NEOPENTYL-GLYCOL 1,5-PENTANEDIOL ETHYLENE-GLYCOL-MONOPROPYLETHER ETHYLAL 2,4-PENTANEDIOL 2-2-METHOXYETHOXY-ETHANOL PENTAERYTHRITOL 1-PENTANETHIOL METHYL-T-BUTYL-SULFIDE METHYL-N-BUTYL-SULFIDE N-PENTYLAMINE METHYL-DIETHANOLAMINE FURFURAL METHYL-MALEIC-ANHYDRIDE PYRIDINE CYCLOPENTADIENE 2-METHYL-1-BUTENE-3-YNE 1-PENTENE-3-YNE 1-PENTENE-4-YNE GLUTARONITRILE FURFURYL-ALCOHOL GLUTARIC-ANHYDRIDE CITRACONIC-ACID ITACONIC-ACID 2-METHYLTHIOPHENE 3-METHYLTHIOPHENE N-METHYLPYRROLE ETHYL-CYANOACETATE CIS-1,3-PENTADIENE CYCLOPENTENE 1,2-PENTADIENE 1-TRANS-3-PENTADIENE 1,4-PENTADIENE 1-PENTYNE 2-METHYL-1,3-BUTADIENE 3-METHYL-1,2-BUTADIENE 3-METHYL-1-BUTYNE 2,3-PENTADIENE 2-PENTYNE PENTAERYTHRITOL-TETRANITRATE CYCLOPENTANONE

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C5H12O2-D4 C5H12O2-D5 C5H12O3 C5H12O4 C5H12S C5H12S-D1 C5H12S-D2 C5H13N C5H13NO2 C5H4O2 C5H4O3 C5H5N C5H6 C5H6-E1 C5H6-E2 C5H6-E3 C5H6N2 C5H6O2 C5H6O3 C5H6O4-E1 C5H6O4-E2 C5H6S-E1 C5H6S-E2 C5H7N C5H7NO2 C5H8 C5H8-1 C5H8-2 C5H8-3 C5H8-4 C5H8-5 C5H8-6 C5H8-7 C5H8-E2 C5H8-E4 C5H8-E5 C5H8N4O12 C5H8O

Physical Property Data 11.1

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Pure Component Databanks: C6

1-38 • Databanks

Alias

Name

P11 P10 P93 P856PCD

C5H8O-D1 C5H8O2 C5H8O2-D1 C5H8O2-D2 C5H8O2-D3 C5H8O2-D4 C5H8O2-D5 C5H8O2-D6 C5H8O3 C5H8O3-D1 C5H8O3-D2 C5H8O4 C5H9N C5H9NO-D1 C5H9NO-D2 C5H9NO4 C5H9NS

METHYL-ISOPROPENYL-KETONE ETHYL-ACRYLATE ACETYLACETONE ALLYL-ACETATE METHYL-METHACRYLATE GAMMA-VALEROLACTONE VINYL-PROPIONATE GLUTARALDEHYDE 2-HYDROXYETHYL-ACRYLATE LEVULINIC-ACID METHYL-ACETOACETATE GLUTARIC-ACID VALERONITRILE N-BUTYL-ISOCYANATE N-METHYL-2-PYRROLIDONE L-GLUTAMIC-ACID N-METHYLTHIOPYRROLIDONE

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Name

P11 P10 P93 P856PCD

C6CL6 C6F12 C6F14 C6F6 C6H10-1 C6H10-2 C6H10-D1 C6H10-D2 C6H10-D3 C6H10-D4 C6H10-E2 C6H10-E3 C6H10-E4 C6H10-E5 C6H10-E6 C6H10-E7 C6H10-E8 C6H10O C6H10O-D0 C6H10O-D1 C6H10O2-D1 C6H10O2-D2 C6H10O2-D3 C6H10O2-D4 C6H10O2-D5

HEXACHLOROBENZENE PERFLUOROCYCLOHEXANE PERFLUORO-N-HEXANE PERFLUOROBENZENE 1,5-HEXADIENE CYCLOHEXENE 1-METHYLCYCLOPENTENE 3-METHYLCYCLOPENTENE 4-METHYLCYCLOPENTENE 1,2-HEXADIENE 1-HEXYNE 2,3-DIMETHYL-1,3-BUTADIENE CIS,TRANS-2,4-HEXADIENE TRANS,TRANS-2,4-HEXADIENE 2-HEXYNE 3-HEXYNE 1,4-HEXADIENE CYCLOHEXANONE MESITYL-OXIDE 2-METHYL-2-PENTENAL CAPROLACTONE ETHYL-METHACRYLATE N-PROPYL-ACRYLATE METHOXYDIHYDROPYRAN ISOPROPYL-ACRYLATE

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Physical Property Data 11.1

Alias

Name

P11 P10 P93 P856PCD

C6H10O3 C6H10O3-D1 C6H10O3-D2 C6H10O4 C6H10O4-D1 C6H10O4-D2 C6H10O4-D3 C6H10O5 C6H11N C6H11N-D1 C6H11NO C6H11NO-D1 C6H12-1 C6H12-10 C6H12-11 C6H12-12 C6H12-13 C6H12-14 C6H12-15 C6H12-2 C6H12-3 C6H12-4 C6H12-5 C6H12-6 C6H12-7 C6H12-8 C6H12-9 C6H12-D1 C6H12-D2 C6H12-D3 C6H12-E3 C6H12CL3PO3 C6H12N2-E1 C6H12N2-E2 C6H12N4 C6H12O C6H12O-1 C6H12O-2 C6H12O-D1 C6H12O-D2 C6H12O-D3 C6H12O-E1 C6H12O-E2 C6H12O-E3 C6H12O2

2-HYDROXYETHYL-METHACRYLATE ETHYLACETOACETATE PROPIONIC-ANHYDRIDE ETHYLIDENE-DIACETATE ADIPIC-ACID DIETHYL-OXALATE ETHYLENE-GLYCOL-DIACETATE DILACTIC-ACID HEXANENITRILE DIALLYLAMINE EPSILON-CAPROLACTAM CYCLOHEXANONE-OXIME CYCLOHEXANE 3-METHYL-TRANS-2-PENTENE 4-METHYL-CIS-2-PENTENE 4-METHYL-TRANS-2-PENTENE 2,3-DIMETHYL-1-BUTENE 2,3-DIMETHYL-2-BUTENE 3,3-DIMETHYL-1-BUTENE METHYLCYCLOPENTANE 1-HEXENE CIS-2-HEXENE TRANS-2-HEXENE CIS-3-HEXENE TRANS-3-HEXENE 2-METHYL-2-PENTENE 3-METHYL-CIS-2-PENTENE 2-ETHYL-1-BUTENE 2-METHYL-1-PENTENE 4-METHYL-1-PENTENE 3-METHYL-1-PENTENE BIS-2-CHLOROETHYL-2-CHLOROETHYL AMINOCAPRONITRILE TRIETHYLENEDIAMINE HEXAMETHYLENETETRAMINE 3-HEXANONE CYCLOHEXANOL METHYL-ISOBUTYL-KETONE BUTYL-VINYL-ETHER 1-HEXANAL 2-HEXANONE ETHYL-ISOPROPYL-KETONE 3-METHYL-2-PENTANONE 3,3-DIMETHYL-2-BUTANONE TERT-BUTYL-ACETATE

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1-40 • Databanks

Alias

Name

P11 P10 P93 P856PCD

C6H12O2-1 C6H12O2-2 C6H12O2-3 C6H12O2-4 C6H12O2-5 C6H12O2-D1 C6H12O2-D2 C6H12O2-D3 C6H12O2-D4 C6H12O2-D5 C6H12O2-D6 C6H12O2-E1 C6H12O3 C6H12O3-D1 C6H12O3-D2 C6H12O3-E1 C6H12O3-E2 C6H12O6 C6H12O6-D1 C6H12S C6H13I C6H13N-D1 C6H13N-D2 C6H13N-D3 C6H14-1 C6H14-2 C6H14-3 C6H14-4 C6H14-5 C6H14N2O C6H14N2O2 C6H14O-1 C6H14O-2 C6H14O-3 C6H14O-D1 C6H14O-D2 C6H14O-D3 C6H14O-D4 C6H14O-D5 C6H14O-D6 C6H14O-E1 C6H14O-E2 C6H14O-E3 C6H14O-E4 C6H14O2-D1

N-BUTYL-ACETATE ISOBUTYL-ACETATE ETHYL-BUTYRATE ETHYL-ISOBUTYRATE N-PROPYL-PROPIONATE SEC-BUTYL-ACETATE CYCLOHEXYL-PEROXIDE DIACETONE-ALCOHOL 2-ETHYL-BUTYRIC-ACID N-HEXANOIC-ACID NEOHEXANOIC-ACID N-PENTYL-FORMATE 6-HYDROXYHEXANOIC-ACID 2-ETHOXYETHYL-ACETATE PARALDEHYDE HYDROXYCAPROIC-ACID PG-MONOMETHYL-ETHER-ACETATE DEXTROSE INOSITOL CYCLOHEXYL-MERCAPTAN N-HEXYL-IODIDE CYCLOHEXYLAMINE HEXAMETHYLENEIMINE N-ETHYL-2-METHYLALLYLAMINE N-HEXANE 2-METHYL-PENTANE 3-METHYL-PENTANE 2,2-DIMETHYL-BUTANE 2,3-DIMETHYL-BUTANE N-2-HYDROXYETHYL-PIPERAZINE LYSINE 1-HEXANOL ETHYL-BUTYL-ETHER DIISOPROPYL-ETHER DI-N-PROPYL-ETHER 2-ETHYL-1-BUTANOL 2-METHYL-1-PENTANOL 4-METHYL-2-PENTANOL 3-METHYL-1-PENTANOL 3-METHYL-3-PENTANOL 2-HEXANOL METHYL-TERT-PENTYL-ETHER TERT-BUTYL-ETHYL-ETHER METHYL-N-PENTYL-ETHER ACETAL

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Physical Property Data 11.1

Alias

Name

P11 P10 P93 P856PCD

C6H14O2-D2 C6H14O2-D3 C6H14O2-D4 C6H14O2-D5 C6H14O2-D6 C6H14O2-D7 C6H14O2S C6H14O3-D1 C6H14O3-D2 C6H14O3-D3 C6H14O3-D4 C6H14O4 C6H14O6 C6H14S C6H14S-D1 C6H14S-D2 C6H14S-D3 C6H14S2 C6H15AL C6H15AL2CL3 C6H15N-1 C6H15N-2 C6H15N-D1 C6H15N-D2 C6H15N-D3 C6H15N3 C6H15NO C6H15NO-D1 C6H15NO2 C6H15NO3 C6H15O4P C6H16N2 C6H16N2-D1 C6H18N3OP C6H18N4 C6H18O3SI3 C6H18OSI2 C6H19NSI2 C6H3CL2NO2 C6H3CL3 C6H3CL3-D1 C6H3CL3-D2 C6H3CLN2O4 C6H3N3O6 C6H4BR2

2-BUTOXYETHANOL X 1,6-HEXANEDIOL X HEXYLENE-GLYCOL X 1,2-DIETHOXYETHANE X 1-ISOPROPOXY-2-PROPANOL X PROPYLENE-GLYCOL-N-PROPYL-ETHER X DI-N-PROPYL-SULFONE X DIETHYLENE-GLYCOL-DIMETHYL-ETHER X DIPROPYLENE-GLYCOL X 2-2-ETHOXYETHOXY-ETHANOL X TRIMETHYLOLPROPANE X TRIETHYLENE-GLYCOL X SORBITOL X N-HEXYLMERCAPTAN X DI-N-PROPYL-SULFIDE X METHYL-T-PENTYL-SULFIDE X ETHYL-T-BUTYL-SULFIDE X DI-N-PROPYLDISULFIDE X TRIETHYL-ALUMINUM X ETHYL-ALUMINUM-SESQUICHLORIDE X DIPROPYLAMINE X TRIETHYLAMINE X DIISOPROPYLAMINE X N-HEXYLAMINE X N,N-DIMETHYL-N-BUTYLAMINE X N-AMINOETHYL-PIPERAZINE X 6-AMINOHEXANOL X DIETHYLETHANOLAMINE X DIISOPROPANOLAMINE X TRIETHANOLAMINE X TRIETHYL-PHOSPHATE X HEXAMETHYLENEDIAMINE X TETRAMETHYLETHYLENEDIAMINE X HEXAMETHYL-PHOSPHORAMIDE X TRIETHYLENE-TETRAMINE X HEXAMETHYLCYCLOTRISILOXANE X HEXAMETHYLDISILOXANE X HEXAMETHYLDISILAZANE X 1,2-DICHLORO-4-NITROBENZENE X 1,2,4-TRICHLOROBENZENE X 1,3,5-TRICHLOROBENZENE X 1,2,3-TRICHLOROBENZENE X 1-CHLORO-2,4-DINITROBENZENE X 1,3,5-TRINITROBENZENE X M-DIBROMOBENZENE X

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Name

P11 P10 P93 P856PCD

C6H4CL2-1 C6H4CL2-2 C6H4CL2-3 C6H4CLNO2-D1 C6H4CLNO2-D2 C6H4CLNO2-D3 C6H4N2 C6H4N2O4-E1 C6H4N2O4-E2 C6H4N2O4-E3 C6H4O2 C6H5BR C6H5CL C6H5CL2N C6H5CLO-E1 C6H5CLO-E2 C6H5CLO-E3 C6H5F C6H5I C6H5NO2 C6H5NO2-D1 C6H5SICL3 C6H6 C6H6CLN-D1 C6H6CLN-D2 C6H6CLN-D3 C6H6N2-E1 C6H6N2-E2 C6H6N2-E3 C6H6N2O2-D1 C6H6N2O2-D2 C6H6N2O2-D3 C6H6N4 C6H6O C6H6O2 C6H6O2-E1 C6H6O2-E2 C6H6O3 C6H6O3S C6H6S C6H7N-1 C6H7N-2 C6H7N-D1 C6H7N-D2 C6H7NO3S

O-DICHLOROBENZENE M-DICHLOROBENZENE P-DICHLOROBENZENE M-CHLORONITROBENZENE O-CHLORONITROBENZENE P-CHLORONITROBENZENE NICOTINONITRILE M-DINITROBENZENE O-DINITROBENZENE P-DINITROBENZENE QUINONE BROMOBENZENE CHLOROBENZENE 3,4-DICHLOROANILINE M-CHLOROPHENOL O-CHLOROPHENOL P-CHLOROPHENOL FLUOROBENZENE IODOBENZENE NITROBENZENE NIACIN PHENYLTRICHLOROSILANE BENZENE M-CHLOROANILINE O-CHLOROANILINE P-CHLOROANILINE CIS-DICYANO-1-BUTENE TRANS-DICYANO-1-BUTENE 1,4-DICYANO-2-BUTENE M-NITROANILINE O-NITROANILINE P-NITROANILINE 2,2,2-NITRILOTRIS-ACETONITRILE PHENOL P-HYDROQUINONE 1,2-BENZENEDIOL 1,3-BENZENEDIOL 1,2,3-BENZENETRIOL BENZENESULFONIC-ACID PHENYL-MERCAPTAN ANILINE 4-METHYLPYRIDINE 2-METHYLPYRIDINE 3-METHYLPYRIDINE SULFANILIC-ACID

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Pure Component Databanks: C7

Physical Property Data 11.1

Alias

Name

P11 P10 P93 P856PCD

C6H8-E1 C6H8-E2 C6H8-E3 C6H8N2 C6H8N2-D1 C6H8N2-D2 C6H8N2-D3 C6H8N2-D4 C6H8N2-D5 C6H8N2O C6H8O4 C6H8O6 C6H8O7

1,3-CYCLOHEXADIENE METHYLCYCLOPENTADIENE 1,4-CYCLOHEXADIENE METHYLGLUTARONITRILE ADIPONITRILE M-PHENYLENEDIAMINE O-PHENYLENEDIAMINE P-PHENYLENEDIAMINE PHENYLHYDRAZINE BIS-CYANOETHYL-ETHER DIMETHYL-MALEATE ASCORBIC-ACID CITRIC-ACID

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Available in Databank Alias

Name

P11 P10 P93 P856PCD

C7F14 C7F16 C7H10 C7H10N2 C7H10N2-D1 C7H10O2 C7H11NO C7H12 C7H12-D1 C7H12O2 C7H12O2-D1 C7H12O2-D2 C7H12O2-D3 C7H12O2-D4 C7H12O3 C7H12O4 C7H12O4-D1 C7H14-1 C7H14-2 C7H14-3 C7H14-4 C7H14-5 C7H14-6 C7H14-7 C7H14-8 C7H14-D1 C7H14-D2 C7H14-D3 C7H14-E10

PERFLUOROMETHYLCYCLOHEXANE PERFLUORO-N-HEPTANE 2-NORBORNENE TOLUENEDIAMINE 2,6-DIAMINOTOLUENE ALLYL-METHACRYLATE CYCLOHEXYL-ISOCYANATE CYCLOHEPTENE 1-HEPTYNE CYCLOPENTYLACETIC-ACID N-BUTYL-ACRYLATE ISOBUTYL-ACRYLATE N-PROPYL-METHACRYLATE CYCLOHEXYL-FORMATE 2-HYDROXYPROPYL-METHACRYLATE DIETHYL-MALONATE PIMELIC-ACID CYCLOHEPTANE 1,1-DIMETHYLCYCLOPENTANE CIS-1,2-DIMETHYLCYCLOPENTANE TRANS-1,2-DIMETHYLCYCLOPENTANE ETHYLCYCLOPENTANE METHYLCYCLOHEXANE 1-HEPTENE 2,3,3-TRIMETHYL-1-BUTENE CIS-2-HEPTENE CIS-3-HEPTENE 5-METHYL-1-HEXENE 3-METHYL-1-HEXENE

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1-44 • Databanks

Alias

Name

P11 P10 P93 P856PCD

C7H14-E2 C7H14-E3 C7H14-E4 C7H14-E5 C7H14-E6 C7H14-E7 C7H14-E8 C7H14-E9 C7H14O C7H14O-D1 C7H14O-D10 C7H14O-D2 C7H14O-D3 C7H14O-D4 C7H14O-D5 C7H14O-D6 C7H14O-D7 C7H14O-D8 C7H14O-D9 C7H14O-E1 C7H14O-E2 C7H14O-E3 C7H14O-E4 C7H14O2-D1 C7H14O2-D2 C7H14O2-D3 C7H14O2-D4 C7H14O2-D5 C7H14O2-D6 C7H14O2-D7 C7H14O2-D8 C7H14O2-D9 C7H14O3 C7H14O3-D1 C7H15BR C7H15N C7H16-1 C7H16-2 C7H16-3 C7H16-4 C7H16-5 C7H16-6 C7H16-7 C7H16-8 C7H16-9

CIS-1,3-DIMETHYLCYCLOPENTANE TRANS-1,3-DIMETHYLCYCLOPENTANE TRANS-2-HEPTENE TRANS-3-HEPTENE 4-METHYL-1-HEXENE 2-ETHYL-1-PENTENE 3-ETHYL-1-PENTENE 2-METHYL-1-HEXENE DIISOPROPYL-KETONE 1-HEPTANAL 5-METHYL-2-HEXANONE 2-HEPTANONE 1-METHYLCYCLOHEXANOL CIS-2-METHYLCYCLOHEXANOL TRANS-2-METHYLCYCLOHEXANOL CIS-3-METHYLCYCLOHEXANOL TRANS-3-METHYLCYCLOHEXANOL CIS-4-METHYLCYCLOHEXANOL TRANS-4-METHYLCYCLOHEXANOL 3-HEPTANONE 4-HEPTANONE 2-METHYLHEXANAL 3-METHYLHEXANAL N-BUTYL-PROPIONATE ETHYL-ISOVALERATE N-HEPTANOIC-ACID ISOPENTYL-ACETATE N-PENTYL-ACETATE N-PROPYL-N-BUTYRATE N-PROPYL-ISOBUTYRATE N-HEXYL-FORMATE NEOHEPTANOIC-ACID ETHYL-3-ETHOXYPROPIONATE PG-ETHYL-ETHER-ACETATE 1-BROMOHEPTANE N-METHYLCYCLOHEXYLAMINE N-HEPTANE 2-METHYLHEXANE 3-METHYLHEXANE 2,2-DIMETHYLPENTANE 2,3-DIMETHYLPENTANE 2,4-DIMETHYLPENTANE 3,3-DIMETHYLPENTANE 3-ETHYLPENTANE 2,2,3-TRIMETHYLBUTANE

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Physical Property Data 11.1

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Available in Databank

Physical Property Data 11.1

Alias

Name

P11 P10 P93 P856PCD

C7H16O C7H16O-D0 C7H16O-D1 C7H16O-D2 C7H16O-D3 C7H16O-E1 C7H16O-E2 C7H16O2 C7H16O2-D1 C7H16O3 C7H16O3-D1 C7H16O4 C7H16S C7H17N C7H3CL2F3 C7H3CL2NO C7H3CLF3NO2 C7H4CL2O C7H4CLF3 C7H4F3NO2 C7H5CL3 C7H5CLO C7H5CLO2 C7H5F3 C7H5N C7H5N3O6 C7H5N5O8 C7H5NAO2 C7H5NO C7H5NS2 C7H6CL2 C7H6CL2-D1 C7H6N2O4-E1 C7H6N2O4-E2 C7H6N2O4-E3 C7H6N2O4-E4 C7H6N2O4-E5 C7H6O C7H6O2 C7H6O2-D0 C7H6O2-E1 C7H6O3 C7H7BR C7H7CL-D1 C7H7CL-D2

1-HEPTANOL X 2-HEPTANOL X ISOPROPYL-BUTYL-ETHER X ISOPROPYL-ISOBUTYL-ETHER X 2-METHYL-1-HEXANOL X ISOHEPTANOL X ETHYL-TERT-PENTYL-ETHER X PG-1-TERT-BUTYL-ETHER X PG-2-TERT-BUTYL-ETHER X DPG-MONOMETHYL-ETHER X DIETHYLENE-GLYCOL-PROPYL-ETHER X 2-2-2-METHOXYETHOXY-ETHOXY-ETHAN X N-HEPTYL-MERCAPTAN X 1-AMINOHEPTANE X 2,4-DICHLOROBENZOTRIFLUORIDE X 3,4-DICHLOROPHENYL-ISOCYANATE X 4-CHLORO-3-NITROBENZOTRIFLUORIDE X M-CHLOROBENZOYL-CHLORIDE X P-CHLOROBENZOTRIFLUORIDE X 3-NITROBENZOTRIFLUORIDE X BENZOTRICHLORIDE X BENZOYL-CHLORIDE X O-CHLOROBENZOIC-ACID X BENZOTRIFLUORIDE X BENZONITRILE X 2,4,6-TRINITROTOLUENE X TETRYL X SODIUM-BENZOATE PHENYL-ISOCYANATE X 2-MERCAPTOBENZOTHIAZOLE X 2,4-DICHLOROTOLUENE X BENZYL-DICHLORIDE X 2,4-DINITROTOLUENE X 2,5-DINITROTOLUENE X 2,6-DINITROTOLUENE X 3,4-DINITROTOLUENE X 3,5-DINITROTOLUENE X BENZALDEHYDE X BENZOIC-ACID X SALICYLALDEHYDE X P-HYDROXY-BENZALDEHYDE X SALICYLIC-ACID X P-BROMOTOLUENE X BENZYL-CHLORIDE X O-CHLOROTOLUENE X

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Databanks • 1-45

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Pure Component Databanks: C8

1-46 • Databanks

Alias

Name

P11 P10 P93 P856PCD

C7H7CL-D3 C7H7NO C7H7NO2-D1 C7H7NO2-D2 C7H7NO2-D3 C7H7NO3 C7H8 C7H8O-1 C7H8O-2 C7H8O-3 C7H8O-4 C7H8O-5 C7H8O2 C7H8O2-E1 C7H8O3S C7H8O3S-D1 C7H8S C7H8SICL2 C7H9N-1 C7H9N-2 C7H9N-3 C7H9N-4 C7H9N-5 C7H9N-6 C7H9N-7 C7H9N-8 C7H9N-D1 C7H9N-D2

P-CHLOROTOLUENE FORMANILIDE M-NITROTOLUENE O-NITROTOLUENE P-NITROTOLUENE O-NITROANISOLE TOLUENE METHYL-PHENYL-ETHER BENZYL-ALCOHOL O-CRESOL M-CRESOL P-CRESOL P-METHOXYPHENOL GUAIACOL P-TOLUENESULFONIC-ACID O-TOLUENESULFONIC-ACID BENZYL-MERCAPTAN PHENYLMETHYLDICHLOROSILANE 2,3-DIMETHYLPYRIDINE 2,5-DIMETHYLPYRIDINE 3,4-DIMETHYLPYRIDINE 3,5-DIMETHYLPYRIDINE METHYLPHENYLAMINE O-TOLUIDINE M-TOLUIDINE P-TOLUIDINE BENZYLAMINE 2,6-DIMETHYLPYRIDINE

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Name

P11 P10 P93 P856PCD

C8H10-1 C8H10-2 C8H10-3 C8H10-4 C8H10N4O2 C8H10O C8H10O-1 C8H10O-10 C8H10O-2 C8H10O-3 C8H10O-4 C8H10O-5 C8H10O-6 C8H10O-7

O-XYLENE M-XYLENE P-XYLENE ETHYLBENZENE CAFFEINE 2-PHENYLETHANOL O-ETHYLPHENOL 3,5-XYLENOL M-ETHYLPHENOL P-ETHYLPHENOL PHENETOLE 2,3-XYLENOL 2,4-XYLENOL 2,5-XYLENOL

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Physical Property Data 11.1

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Physical Property Data 11.1

Alias

Name

P11 P10 P93 P856PCD

C8H10O-8 C8H10O-9 C8H10O-D1 C8H10O-D2 C8H10O-D5 C8H10O-D6 C8H10O2 C8H10O4 C8H11N C8H11N-D0 C8H11N-D1 C8H11N-D2 C8H11NO C8H12 C8H12-D1 C8H12-D2 C8H12O4-E1 C8H12O4-E2 C8H14 C8H14-D1 C8H14-D2 C8H14-D3 C8H14O C8H14O2 C8H14O2-D1 C8H14O2-D2 C8H14O3 C8H14O4 C8H14O4-D1 C8H14O4-D2 C8H16-1 C8H16-10 C8H16-11 C8H16-12 C8H16-13 C8H16-14 C8H16-15 C8H16-16 C8H16-17 C8H16-2 C8H16-3 C8H16-4 C8H16-5 C8H16-6 C8H16-7

2,6-XYLENOL 3,4-XYLENOL ALPHA-METHYLBENZYL-ALCOHOL P-TOLUALCOHOL O-TOLUALCOHOL M-TOLUALCOHOL ETHYLBENZENE-HYDROPEROXIDE ETHYLENE-GLYCOL-DIACRYLATE N,N-DIMETHYLANILINE O-ETHYLANILINE 2,4,6-TRIMETHYLPYRIDINE N-ETHYLANILINE P-PHENETIDINE VINYLCYCLOHEXENE 1,5-CYCLOOCTADIENE METHYLNORBORNENE 1,4-CYCLOHEXANEDICARBOXYLIC-ACID DIETHYL-MALEATE CYCLOOCTENE 1-OCTYNE 2,5-DIMETHYL-1,5-HEXADIENE 2,5-DIMETHYL-2,4-HEXADIENE 2-ETHYL-2-HEXENAL N-BUTYL-METHACRYLATE ISOBUTYL-METHACRYLATE CYCLOHEXYL-ACETATE BUTYRIC-ANHYDRIDE DIETHYL-SUCCINATE SUBERIC-ACID 6-ACETOXY-2,4-DIMETHYL-M-DIOXANE 1,1-DIMETHYLCYCLOHEXANE 1,1,3-TRIMETHYLCYCLOPENTANE CIS,CIS,TRANS-1,2,4-TRIMETHYLCYC CIS,TRANS,CIS-1,2,4-TRIMETHYLCYC 1-METHYL-1-ETHYLCYCLOPENTANE N-PROPYLCYCLOPENTANE ISOPROPYLCYCLOPENTANE 1-OCTENE TRANS-2-OCTENE CIS-1,2-DIMETHYLCYCLOHEXANE TRANS-1,2-DIMETHYLCYCLOHEXANE CIS-1,3-DIMETHYLCYCLOHEXANE TRANS-1,3-DIMETHYLCYCLOHEXANE CIS-1,4-DIMETHYLCYCLOHEXANE TRANS-1,4-DIMETHYLCYCLOHEXANE

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1-48 • Databanks

Alias

Name

P11 P10 P93 P856PCD

C8H16-8 C8H16-9 C8H16-D1 C8H16-D10 C8H16-D2 C8H16-D3 C8H16-D4 C8H16-D5 C8H16-D6 C8H16-D7 C8H16-D8 C8H16-D9 C8H16-E1 C8H16-E2 C8H16O C8H16O-E1 C8H16O-E2 C8H16O2 C8H16O2-D1 C8H16O2-D2 C8H16O2-D3 C8H16O2-D4 C8H16O2-D5 C8H16O2-D6 C8H16O3 C8H16O4 C8H18 C8H18-1 C8H18-10 C8H18-11 C8H18-12 C8H18-13 C8H18-14 C8H18-15 C8H18-16 C8H18-17 C8H18-2 C8H18-3 C8H18-4 C8H18-5 C8H18-6 C8H18-7 C8H18-8 C8H18-9 C8H18O

ETHYLCYCLOHEXANE 1,1,2-TRIMETHYLCYCLOPENTANE 2-ETHYL-1-HEXENE 6-METHYL-1-HEPTENE TRANS-3-OCTENE TRANS-4-OCTENE 2,4,4-TRIMETHYL-1-PENTENE 2,4,4-TRIMETHYL-2-PENTENE CYCLOOCTANE CIS-2-OCTENE CIS-4-OCTENE CIS-3-OCTENE 2,3-DIMETHYL-1-HEXENE 2-METHYL-1-HEPTENE 2-ETHYLHEXANAL 1-OCTANAL 2-OCTANONE 1,4-CYCLOHEXANEDIMETHANOL N-BUTYL-N-BUTYRATE ISOBUTYL-ISOBUTYRATE N-OCTANOIC-ACID N-HEXYL-ACETATE N-HEPTYL-FORMATE 2-ETHYL-HEXANOIC-ACID EG-MONOBUTYL-ETHER-ACETATE 2-2-ETHOXYETHOXY-ETHYL-ACETATE 2,2,3,3-TETRAMETHYLBUTANE N-OCTANE 3,4-DIMETHYLHEXANE 3-ETHYLHEXANE 2,2,3-TRIMETHYLPENTANE 2,2,4-TRIMETHYLPENTANE 2,3,3-TRIMETHYLPENTANE 2,3,4-TRIMETHYLPENTANE 2-METHYL-3-ETHYLPENTANE 3-METHYL-3-ETHYLPENTANE 2-METHYLHEPTANE 3-METHYLHEPTANE 4-METHYLHEPTANE 2,2-DIMETHYLHEXANE 2,3-DIMETHYLHEXANE 2,4-DIMETHYLHEXANE 2,5-DIMETHYLHEXANE 3,3-DIMETHYLHEXANE DI-TERT-BUTYL-ETHER

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Physical Property Data 11.1

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Available in Databank Alias

Name

P11 P10 P93 P856PCD

C8H18O-1 C8H18O-2 C8H18O-3 C8H18O-4 C8H18O-D1 C8H18O-D2 C8H18O-D3 C8H18O2 C8H18O2-D1 C8H18O2-E2 C8H18O2S C8H18O3

1-OCTANOL 2-OCTANOL 2-ETHYLHEXANOL BUTYL-ETHER DI-SEC-BUTYL-ETHER DIISOBUTYL-ETHER ETHYL-N-HEXYL-ETHER DI-T-BUTYL-PEROXIDE 2-HEXOXYETHANOL 2,2,4-TRIMETHYL-1,3-PENTANEDIOL DI-N-BUTYL-SULFONE DIETHYLENE-GLYCOL-MONOBUTYLETHE DIETHYLENE-GLYCOL-DIETHYL-ETHER TRIETHYLENE-GLYCOL-DIMETHYL-ETHE TRIETHYLENE-GLYCOL-ETHYL-ETHER TETRAETHYLENE-GLYCOL TERT-OCTYLMERCAPTAN N-OCTYL-MERCAPTAN DI-N-BUTYL-SULFATE DIBUTYLAMINE N-OCTYLAMINE DIISOBUTYLAMINE TETRAETHYL-LEAD TETRAETHYL-SILANE TETRAETHYLENEPENTAMINE OCTAMETHYLCYCLOTETRASILOXANE OCTAMETHYLTRISILOXANE ISOPHTHALOYL-CHLORIDE PHTHALIC-ANHYDRIDE ETHYNYLBENZENE TEREPHTHALDEHYDE 4-CARBOXYBENZALDEHYDE 2-FORMYL-BENZOIC-ACID ISOPHTHALIC-ACID PHTHALIC-ACID TEREPHTHALIC-ACID BENZOTHIOPHENE INDOLE PHENYLACETONITRILE STYRENE METHYL-PHENYL-KETONE P-TOLUALDEHYDE 4-HYDROXYSTYRENE O-TOLUALDEHYDE

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C8H18O3-D1 C8H18O4 C8H18O4-D1 C8H18O5 C8H18S C8H18S-D1 C8H18SO4 C8H19N C8H19N-D0 C8H19N-D1 C8H20PB C8H20SI C8H23N5 C8H24O4SI4 C8H24SI3O2 C8H4CL2O2 C8H4O3 C8H6 C8H6O2 C8H6O3 C8H6O3-D1 C8H6O4-D1 C8H6O4-D2 C8H6O4-D3 C8H6S C8H7N C8H7N-D1 C8H8 C8H8O C8H8O-D0 C8H8O-D1 C8H8O-D2

Physical Property Data 11.1

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Pure Component Databanks: C9

1-50 • Databanks

Alias

Name

P11 P10 P93 P856PCD

C8H8O-D3 C8H8O2 C8H8O2-D1 C8H8O2-D2 C8H8O2-D3 C8H8O2-D4 C8H8O2-D5 C8H8O3 C8H8O3-D1 C8H9NO C8H9NO2

M-TOLUALDEHYDE METHYL-BENZOATE O-TOLUIC-ACID P-TOLUIC-ACID BENZYL-FORMATE 2-HYDROXYACETOPHENONE 4-HYDROXYACETOPHENONE METHYL-SALICYLATE VANILLIN ACETANILIDE ACETAMINOPHEN

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Available in Databank Alias

Name

P11 P10 P93 P856PCD

C9H10 C9H10-E1 C9H10-E2 C9H10-E3 C9H10-E4 C9H10-E5 C9H10-E6 C9H10O C9H10O2 C9H10O2-D0 C9H10O2-D1 C9H10O3 C9H10O3-D1 C9H10O3-D2 C9H11NO C9H11NO2 C9H12 C9H12-1 C9H12-2 C9H12-3 C9H12-4 C9H12-5 C9H12-6 C9H12-7 C9H12-8 C9H12-D1 C9H12O C9H12O-D1 C9H12O-D2 C9H12O-D3 C9H12O-D4

ALPHA-METHYL-STYRENE INDANE M-METHYL-STYRENE O-METHYL-STYRENE P-METHYL-STYRENE CIS-1-PROPENYLBENZENE TRANS-1-PROPENYLBENZENE 2-PHENYLPROPIONALDEHYDE ETHYL-BENZOATE BENZYL-ACETATE ALPHA-METHYLBENZYL-FORMATE ETHYL-VANILLIN ACETOVANILLONE 4-METHOXYPHENYLACETIC-ACID P-DIMETHYLAMINOBENZALDEHYDE L-PHENYLALANINE 5-ETHYLIDENE-2-NORBORNENE N-PROPYLBENZENE ISOPROPYLBENZENE 1-METHYL-2-ETHYLBENZENE 1-METHYL-3-ETHYLBENZENE 1-METHYL-4-ETHYLBENZENE 1,2,3-TRIMETHYLBENZENE 1,2,4-TRIMETHYLBENZENE 1,3,5-TRIMETHYLBENZENE VINYLNORBORNENE BENZYL-ETHYL-ETHER 1-PHENYL-1-PROPANOL 1-PHENYL-2-PROPANOL 2-PHENYL-1-PROPANOL 3-PHENYL-1-PROPANOL

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Physical Property Data 11.1

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Available in Databank

Physical Property Data 11.1

Alias

Name

P11 P10 P93 P856PCD

C9H12O-E1 C9H12O2 C9H14 C9H14-D1 C9H14-D2 C9H14O C9H14O6 C9H14O7 C9H15N C9H16-D1 C9H16O4 C9H18 C9H18-1 C9H18-2 C9H18-3 C9H18-D1 C9H18-D2 C9H18-D3 C9H18O C9H18O-D1 C9H18O-E1 C9H18O-E2 C9H18O2 C9H18O2-D1 C9H18O2-D2 C9H18O2-D3 C9H18O3 C9H18O4 C9H20-1 C9H20-2 C9H20-3 C9H20-4 C9H20-5 C9H20-6 C9H20-7 C9H20-8 C9H20-9 C9H20-D1 C9H20-D2 C9H20-D3 C9H20-D4 C9H20-E1 C9H20-E2 C9H20-E3 C9H20-E4

DIMETHYL-PHENYL-CARBINOL CUMENE-HYDROPEROXIDE PROPENYL-CYCLOHEXENE ETHYLNORBORNENE 1-METHYL-4-VINYLCYCLOHEXENE ISOPHORONE GLYCERYL-TRIACETATE TRILACTIC-ACID TRIALLYLAMINE 1-NONYNE AZELAIC-ACID 1-TRANS-3,5-TRIMETHYLCYCLOHEXANE N-PROPYLCYCLOHEXANE ISOPROPYLCYCLOHEXANE 1-NONENE N-BUTYLCYCLOPENTANE 2-METHYL-1-OCTENE 7-METHYL-1-OCTENE 1-NONANAL DIISOBUTYL-KETONE 2-NONANONE 5-NONANONE N-NONANOIC-ACID N-BUTYL-VALERATE N-OCTYL-FORMATE N-HEPTYL-ACETATE TRIACETONE-ALCOHOL DPG-MONOMETHYL-ETHER-ACETATE N-NONANE 2,2,3-TRIMETHYLHEXANE 2,2,4-TRIMETHYLHEXANE 2,2,5-TRIMETHYLHEXANE 3,3-DIETHYLPENTANE 2,2,3,3-TETRAMETHYLPENTANE 2,2,3,4-TETRAMETHYLPENTANE 2,2,4,4-TETRAMETHYLPENTANE 2,3,3,4-TETRAMETHYLPENTANE 2-METHYLOCTANE 3-METHYLOCTANE 4-METHYLOCTANE 2,4,4-TRIMETHYLHEXANE 2,2-DIMETHYLHEPTANE 2,6-DIMETHYLHEPTANE 2,2-DIMETHYL-3-ETHYLPENTANE 2,4-DIMETHYL-3-ETHYLPENTANE

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Databanks • 1-51

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Available in Databank

Pure Component Databanks: C10

1-52 • Databanks

Alias

Name

P11 P10 P93 P856PCD

C9H20-E5 C9H20O-D1 C9H20O-D2 C9H20O-E1 C9H20O3 C9H20O4 C9H20S C9H20S-D1 C9H21N-D1 C9H21N-D2 C9H4O5 C9H6N2O2 C9H6N2O2-D1 C9H6O6 C9H7N-D1 C9H7N-D2 C9H7NO C9H8 C9H8O C9H8O2 C9H8O4

3-ETHYLHEPTANE 2,6-DIMETHYL-4-HEPTANOL 1-NONANOL 2-NONANOL DPG-N-PROPYL-ETHER TRIPROPYLENE-GLYCOL N-NONYL-MERCAPTAN TERT-NONYL-MERCAPTAN N-NONYLAMINE TRIPROPYLAMINE TRIMELLITIC-ANHYDRIDE TOLUENE-DIISOCYANATE 2,6-TOLUENE-DIISOCYANATE TRIMELLITIC-ACID ISOQUINOLINE QUINOLINE 8-HYDROXYQUINOLINE INDENE 2-METHYLBENZOFURAN CINNAMIC-ACID ACETYLSALICYLIC-ACID

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Available in Databank Alias

Name

P11 P10 P93 P856PCD

C10H10-D1 C10H10-D2 C10H10-D3 C10H10O4-D1 C10H10O4-D2 C10H10O4-D3 C10H11NO2 C10H12 C10H12-D0 C10H12-E1 C10H12-E2 C10H12-E3 C10H12O C10H12O2 C10H12O4 C10H14-1 C10H14-2 C10H14-3 C10H14-4 C10H14-5 C10H14-6

M-DIVINYLBENZENE 1-METHYLINDENE 2-METHYLINDENE O-DIMETHYL-PHTHALATE DIMETHYL-TEREPHTHALATE DIMETHYL-ISOPHTHALATE ACETOACETANILIDE 1,2,3,4-TETRAHYDRONAPHTHALENE DICYCLOPENTADIENE 2-PHENYLBUTENE-1 CIS-2-PHENYLBUTENE-2 TRANS-2-PHENYLBUTENE-2 ANETHOLE N-PROPYL-BENZOATE DIALLYL-MALEATE N-BUTYLBENZENE ISOBUTYLBENZENE SEC-BUTYLBENZENE TERT-BUTYLBENZENE 1-METHYL-2-ISOPROPYLBENZENE 1-METHYL-3-ISOPROPYLBENZENE

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Physical Property Data 11.1

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Available in Databank Alias

Name

C10H14-7 C10H14-8 C10H14-9 C10H14-D1 C10H14-D2 C10H14-D3 C10H14-E1 C10H14-E10 C10H14-E2 C10H14-E3 C10H14-E4 C10H14-E5 C10H14-E6 C10H14-E7 C10H14-E8 C10H14-E9 C10H14O C10H14O2 C10H14O5

1-METHYL-4-ISOPROPYLBENZENE X 1,4-DIETHYLBENZENE X 1,2,4,5-TETRAMETHYLBENZENE X M-DIETHYLBENZENE X O-DIETHYLBENZENE X 1,2-DIMETHYL-3-ETHYLBENZENE X 2-ETHYL-M-XYLENE X 1-METHYL-4-N-PROPYLBENZENE X 2-ETHYL-P-XYLENE X 4-ETHYL-M-XYLENE X 4-ETHYL-O-XYLENE X 5-ETHYL-M-XYLENE X 1,2,3,5-TETRAMETHYL-BENZENE X 1,2,3,4-TETRAMETHYL-BENZENE X 1-METHYL-2-N-PROPYLBENZENE X 1-METHYL-3-N-PROPYLBENZENE X P-TERT-BUTYLPHENOL X P-TERT-BUTYLCATECHOL X 2-ACETOACETOXY-ETHYLX METHACRYLAT N-BUTYLANILINE X N,N-DIETHYLANILINE X 2,6-DIETHYLANILINE X D-LIMONENE X ALPHA-PINENE X BETA-PINENE X TERPINOLENE X ADAMANTANE X CAMPHENE X ALPHA-PHELLANDRENE X BETA-PHELLANDRENE X ALPHA-TERPINENE X GAMMA-TERPINENE X ETHYLENEDIAMINETETRAACETIC-ACID X CAMPHOR X DIPROPYL-MALEATE X DIMETHYL-1,4-CYCLOHEXANEDICARBOX X CIS-DECALIN X TRANS-DECALIN X 1-DECYNE X SEBACIC-ACID X CAPRYLONITRILE X MALATHION X N-BUTYLCYCLOHEXANE X ISOBUTYLCYCLOHEXANE X

C10H15N C10H15N-E1 C10H15N-E2 C10H16-D1 C10H16-D2 C10H16-D3 C10H16-D4 C10H16-D5 C10H16-E1 C10H16-E2 C10H16-E3 C10H16-E4 C10H16-E5 C10H16N2O8 C10H16O C10H16O4 C10H16O4-D1 C10H18-1 C10H18-2 C10H18-D1 C10H18O4 C10H19N C10H19O6PS2 C10H20-1 C10H20-2

Physical Property Data 11.1

P11 P10 P93 P856PCD X X X X X X X X X X X X X X X X X X X

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Databanks • 1-53

X X

Available in Databank Alias

Name

C10H20-3 C10H20-4 C10H20-5 C10H20-D1 C10H20-D2 C10H20-D3 C10H20-D4 C10H20-D5 C10H20-D6 C10H20O C10H20O-D1 C10H20O2 C10H20O2-D1 C10H20O2-D2 C10H20O2-D3 C10H20O2-D4 C10H20O2-D5 C10H20O4

SEC-BUTYLCYCLOHEXANE X TERT-BUTYLCYCLOHEXANE X 1-DECENE X CIS-2-DECENE X TRANS-2-DECENE X 1,1-DIETHYLCYCLOHEXANE X 1,2,3,4-TETRAMETHYLCYCLOHEXANE X 2-METHYL-1-NONENE X 8-METHYL-1-NONENE X 1-DECANAL X L-MENTHOL X P-MENTHANE-HYDROPEROXIDE X N-DECANOIC-ACID X 2-ETHYLHEXYL-ACETATE X ISOPENTYL-ISOVALERATE X N-OCTYL-ACETATE X N-NONYL-FORMATE X DIGLYCOL-MONOBUTYL-ETHERX ACETATE N-DECANE X 3,3,5-TRIMETHYLHEPTANE X 2,2,3,3-TETRAMETHYLHEXANE X 2,2,5,5-TETRAMETHYLHEXANE X 2,3-DIMETHYLOCTANE X 2,4-DIMETHYLOCTANE X 2,5-DIMETHYLOCTANE X 2,6-DIMETHYLOCTANE X 2,7-DIMETHYLOCTANE X 2,2-DIMETHYL-OCTANE X 2-METHYLNONANE X 3-METHYLNONANE X 4-METHYLNONANE X 5-METHYLNONANE X 1-DECANOL X ISODECANOL X DI-N-PENTYL-ETHER X ETHYLENE-GLYCOL-2-ETHYLHEXYL-ETH X 2-2-HEXOXYETHOXY-ETHANOL X DIPROPYLENE-GLYCOL-T-BUTYL-ETHER X TRIPROPYLENE-GLYCOL-MONOMETHYL- X E TRIETHYLENE-GLYCOL-BUTYL-ETHER X TETRAETHYLENE-GLYCOL-DIMETHYL- X ET N-DECYL-MERCAPTAN X ETHYL-N-OCTYL-SULFIDE X

C10H22-1 C10H22-2 C10H22-3 C10H22-4 C10H22-D1 C10H22-D2 C10H22-D3 C10H22-D4 C10H22-D5 C10H22-E1 C10H22-E2 C10H22-E3 C10H22-E4 C10H22-E5 C10H22O C10H22O-D0 C10H22O-D1 C10H22O2 C10H22O3-D1 C10H22O3-E1 C10H22O4 C10H22O4-D1 C10H22O5 C10H22S C10H22S-D1

1-54 • Databanks

P11 P10 P93 P856PCD X X X X X X X

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Physical Property Data 11.1

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Available in Databank

Pure Component Databanks: C11

Pure Component Databanks: C12

Physical Property Data 11.1

Alias

Name

P11 P10 P93 P856PCD

C10H23N C10H23N-D1 C10H24N2 C10H28N6 C10H30SI4O3 C10H30SI5O5 C10H6O8 C10H7BR C10H7CL C10H8 C10H9N

N-DECYLAMINE DIAMYLAMINE N,N-DI-TERT-BUTYLETHYLENEDIAMINE PENTAETHYLENE-HEXAMINE DECAMETHYLTETRASILOXANE DECAMETHYLCYCLOPENTASILOXANE PYROMELLITIC-ACID 1-BROMONAPHTHALENE 1-CHLORONAPHTHALENE NAPHTHALENE QUINALDINE

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Available in Databank Alias

Name

P11 P10 P93 P856PCD

C11H10-1 C11H10-2 C11H12 C11H14O2 C11H16 C11H16-D1 C11H16-D2 C11H16O C11H20O2 C11H22-1 C11H22-2 C11H22O C11H22O2 C11H22O2-D1 C11H22O2-D2 C11H22O2-D3 C11H24 C11H24O C11H24S C11H25N

1-METHYLNAPHTHALENE 2-METHYLNAPHTHALENE P-ISOPROPENYLSTYRENE BUTYL-BENZOATE N-PENTYLBENZENE 1-ETHYL-2-ISOPROPYLBENZENE PENTAMETHYLBENZENE P-TERT-AMYLPHENOL 2-ETHYLHEXYL-ACRYLATE N-HEXYLCYCLOPENTANE 1-UNDECENE 1-UNDECANAL N-NONYL-ACETATE N-DECYL-FORMATE METHYL-DECANOATE N-UNDECANOIC-ACID N-UNDECANE 1-UNDECANOL UNDECYL-MERCAPTAN UNDECYLAMINE

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Name

P11 P10 P93 P856PCD

C12H10 C12H10-D0 C12H10N2O2-A C12H10N2O2-B C12H10O C12H11N C12H11N-D1 C12H11N3-E1

DIPHENYL ACENAPHTHENE O-NITRODIPHENYLAMINE P-NITRODIPHENYLAMINE DIPHENYL-ETHER DIPHENYLAMINE P-AMINODIPHENYL P-AMINOAZOBENZENE

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Databanks • 1-55

Available in Databank

1-56 • Databanks

Alias

Name

P11 P10 P93 P856PCD

C12H11N3-E2 C12H12-E1 C12H12-E2 C12H12-E3 C12H12-E4 C12H12N2-D1 C12H12N2-D2 C12H12N2-D3 C12H14 C12H14O4 C12H14O6 C12H16 C12H16-D1 C12H16-D2 C12H18 C12H18-D1 C12H18-D2 C12H18-D3 C12H18-D4 C12H18-D5 C12H18-D6 C12H18-D7 C12H18-D8 C12H18O2 C12H18O2-D1 C12H20O C12H20O4 C12H22 C12H22O11 C12H23N C12H24-1 C12H24-2 C12H24-D1 C12H24-D2 C12H24O C12H24O2 C12H24O2-E1 C12H24O3 C12H26 C12H26-D1 C12H26O-1 C12H26O-2 C12H26O3 C12H26S C12H26S-E1

1,3-DIPHENYLTRIAZENE X 2,6-DIMETHYLNAPHTHALENE X 2,7-DIMETHYLNAPHTHALENE X 1-ETHYLNAPHTHALENE X 2-ETHYLNAPHTHALENE X P-AMINODIPHENYLAMINE X HYDRAZOBENZENE X BENZIDINE X 1,2,3-TRIMETHYLINDENE X DIETHYL-PHTHALATE X BIS-2-HYDROXYETHYL-TEREPHTHALATE X CYCLOHEXYLBENZENE X P-TERT-BUTYLSTYRENE X 4-ISOBUTYLSTYRENE X 1,3,5-TRIETHYLBENZENE X M-DIISOPROPYLBENZENE X P-DIISOPROPYLBENZENE X N-HEXYLBENZENE X P-TERT-BUTYL-ETHYLBENZENE X 1,5,9-CYCLODODECATRIENE X 1,2,4-TRIETHYLBENZENE X HEXAMETHYLBENZENE X 1,2,3-TRIETHYLBENZENE X M-DIISOPROPYL-BENZENE-HYDROPEROX X P-DIISOPROPYLBENZ-HYDROPEROXIDE X 2-CYCLOHEXYL-CYCLOHEXANONE X DIBUTYL-MALEATE X BICYCLOHEXYL X SUCROSE X DICYCLOHEXYLAMINE X N-HEPTYLCYCLOPENTANE X 1-DODECENE X CIS-2-DODECENE X TRANS-2-DODECENE X 1-DODECANAL X N-DODECANOIC-ACID X N-DECYL-ACETATE X 2,2,4-TM-1,3-PD-MONOISOBUTYNATE X N-DODECANE X 3-METHYLUNDECANE X DIHEXYLETHER X DODECANOL X DIETHYLENE-GLYCOL-DI-N-BUTYL-ETH X N-DODECYL-MERCAPTAN X TERT-DODECYL-MERCAPTAN X

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Physical Property Data 11.1

X X

Available in Databank

Pure Component Databanks: C13

Pure Component Databanks: C14

Physical Property Data 11.1

Alias

Name

P11 P10 P93 P856PCD

C12H27BO3 C12H27N C12H27N-D0 C12H36SI5O4 C12H36SI6O6 C12H6N2O2 C12H8 C12H8O C12H8O4 C12H8S C12H9N C12H9N3O4

TRI-N-BUTYL-BORATE TRIBUTYLAMINE DODECYLAMINE DODECAMETHYLPENTASILOXANE DODECAMETHYLCYCLOHEXASILOXANE 1,5-NAPHTHALENE-DIISOCYANATE ACENAPHTHALENE DIBENZOFURAN 2,6-NAPHTHALENEDICARBOXYLIC-ACID DIBENZOTHIOPHENE DIBENZOPYRROLE 4,4-DINITRODIPHENYLAMINE

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Available in Databank Alias

Name

P11 P10 P93 P856PCD

C13H10 C13H10O C13H12 C13H14 C13H18O2 C13H20 C13H26-1 C13H26-2 C13H26O C13H26O2 C13H26O2-D1 C13H26O2-D2 C13H28 C13H28O C13H9N

FLUORENE BENZOPHENONE DIPHENYLMETHANE 1-N-PROPYLNAPHTHALENE IBUPROFEN N-HEPTYLBENZENE N-OCTYLCYCLOPENTANE 1-TRIDECENE 1-TRIDECANAL METHYL-DODECANOATE N-BUTYL-NONANOATE N-TRIDECANOIC-ACID N-TRIDECANE 1-TRIDECANOL ACRIDINE

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Available in Databank Alias

Name

P11 P10 P93 P856PCD

C14H10 C14H10-1 C14H10-2 C14H10O4 C14H12-D1 C14H12-D2 C14H12O2 C14H12O4 C14H14-D1 C14H14-D2 C14H14O C14H16

DIPHENYLACETYLENE ANTHRACENE PHENANTHRENE BENZOYL-PEROXIDE CIS-STILBENE TRANS-STILBENE BENZYL-BENZOATE DIMETHYL-2,6-NAPHTHALENEDICARBOX 1,1-DIPHENYLETHANE 1,2-DIPHENYLETHANE DIBENZYL-ETHER 1-N-BUTYLNAPHTHALENE

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Databanks • 1-57

X X

Available in Databank

Pure Component Databanks: C15

Pure Component Databanks: C16

1-58 • Databanks

Alias

Name

P11 P10 P93 P856PCD

C14H16-D1 C14H18O4 C14H20 C14H22 C14H22-D1 C14H22-D2 C14H22O C14H28-1 C14H28-2 C14H28O2 C14H30 C14H30O C14H31N C14H42SI6O5 C14H8O2

2,6-DIETHYLNAPHTHALENE DIPROPYL-PHTHALATE DIAMANTANE N-OCTYLBENZENE 1,2,3,5-TETRAETHYLBENZENE 1,4-DI-TERT-BUTYLBENZENE P-TERT-OCTYLPHENOL N-NONYLCYCLOPENTANE 1-TETRADECENE N-TETRADECANOIC-ACID N-TETRADECANE 1-TETRADECANOL TETRADECYLAMINE TETRADECAMETHYLHEXASILOXANE ANTHRAQUINONE

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Available in Databank Alias

Name

P11 P10 P93 P856PCD

C15H10N2O2 C15H12 C15H16O C15H16O2 C15H18 C15H24 C15H24O-D1 C15H24O-D2 C15H30-1 C15H30-2 C15H30O2 C15H32 C15H32O C15H33N

DIPHENYLMETHANE-4,4-DIISOCYANATE 1-PHENYLINDENE P-CUMYLPHENOL BISPHENOL-A 1-N-PENTYLNAPHTHALENE N-NONYLBENZENE 2,6-DI-TERT-BUTYL-P-CRESOL NONYLPHENOL N-DECYLCYCLOPENTANE 1-PENTADECENE PENTADECANOIC-ACID N-PENTADECANE 1-PENTADECANOL TRIAMYLAMINE

X X X X X X X X X X X X X X

X X X X X X X X X X X X X X

X X X X X X X X X X X X X X

X X X X X X X X X

X X X

Available in Databank Alias

Name

P11 P10 P93 P856PCD

C16H10-D1 C16H10-D2 C16H12 C16H18 C16H20 C16H22O4 C16H22O4-D1 C16H24 C16H26 C16H26-D1

FLUORANTHENE PYRENE 1-PHENYLNAPHTHALENE 1-4-ETHYLPHENYL-2-PHENYLETHANE 1-N-HEXYLNAPHTHALENE DIBUTYL-O-PHTHALATE DIISOBUTYL-PHTHALATE 1-N-HEXYL-1,2,3,4-TETRAHYDRONAPH N-DECYLBENZENE PENTAETHYLBENZENE

X X X X X X X X X X

X X X X X X X X X

X X X

X X X

X X X X X

X X

X

Physical Property Data 11.1

X

Available in Databank

Pure Component Databanks: C17

Pure Component Databanks: C18

Physical Property Data 11.1

Alias

Name

P11 P10 P93 P856PCD

C16H32-1 C16H32-2 C16H32O2 C16H34 C16H34-D1 C16H34O C16H34O-D1 C16H34S C16H48SI7O6

N-DECYLCYCLOHEXANE 1-HEXADECENE N-HEXADECANOIC-ACID N-HEXADECANE 2,2,4,4,6,8,8-HEPTAMETHYLNONANE 1-HEXADECANOL DI-N-OCTYL-ETHER DI-N-OCTYL-SULFIDE HEXADECAMETHYLHEPTASILOXANE

X X X X X X X X X

X X X X X X X

X X X X

X X X X

X X

X X

X X X

Available in Databank Alias

Name

P11 P10 P93 P856PCD

C17H28 C17H34 C17H34-D1 C17H34O2 C17H34O2-D1 C17H36 C17H36O

N-UNDECYLBENZENE N-DODECYLCYCLOPENTANE 1-HEPTADECENE N-HEPTADECANOIC-ACID ISOPROPYL-MYRISTATE N-HEPTADECANE HEPTADECANOL

X X X X X X X

X X X X X X X

X X X X X X X

X X X

X X

X X

Available in Databank Alias

Name

P11 P10 P93 P856PCD

C18H12 C18H12-D1 C18H12-D2 C18H13N3O4 C18H14-1 C18H14-2 C18H14-3 C18H15O4P C18H15P C18H15PO C18H16N2 C18H20 C18H22 C18H22O2 C18H30 C18H30-D1 C18H30O2 C18H32O2 C18H34O2 C18H34O4-D1 C18H34O4-D2 C18H36-1 C18H36-2

CHRYSENE BENZANTHRACENE NAPHTHACENE 4,4-DINITROTRIPHENYLAMINE O-TERPHENYL M-TERPHENYL P-TERPHENYL TRIPHENYL-PHOSPHATE TRIPHENYLPHOSPHINE TRIPHENYLPHOSPHINE-OXIDE N-N-DIPHENYL-P-PHENYLENEDIAMINE 2,4-DIPHENYL-4-METHYLPENTENE-1 2,3-DIMETHYL-2,3-DIPHENYLBUTANE DICUMYLPEROXIDE N-DODECYLBENZENE HEXAETHYLBENZENE LINOLENIC-ACID LINOLEIC-ACID OLEIC-ACID DIBUTYL-SEBACATE DIHEXYL-ADIPATE 1-OCTADECENE N-TRIDECYLCYCLOPENTANE

X X X X X X X X X X X X X X X X X X X X X X X

X

X

X X X X X X X X X X X X

X X X X X X X X X X X X

X X X X X X X

X X X X X X X

X

X X X X X

X X X

X X X X

X X X X X

Databanks • 1-59

X X

Available in Databank

Pure Component Databanks: C19

Pure Component Databanks: C20

1-60 • Databanks

Alias

Name

P11 P10 P93 P856PCD

C18H36O2 C18H38 C18H38O C18H38O-D0 C18H54SI8O7

STEARIC-ACID N-OCTADECANE 1-OCTADECANOL DINONYL-ETHER OCTADECAMETHYLOCTA SILOXANE

X X X X

X X X X

X X X X

X X X X

X X

Available in Databank Alias

Name

P11 P10 P93 P856PCD

C19H16 C19H26 C19H32 C19H36O2 C19H38 C19H38-D1 C19H38O2 C19H40 C19H40O

TRIPHENYLMETHANE 1-N-NONYLNAPHTHALENE N-TRIDECYLBENZENE METHYL-OLEATE N-TETRADECYLCYCLOPENTANE 1-NONADECENE NONADECANOIC-ACID N-NONADECANE 1-NONADECANOL

X X X X X X X X X

X X X X X X X X X

X X X X X X X X X

X X X X X X X

X

Available in Databank Alias

Name

P11 P10 P93 P856PCD

C20H16 C20H18 C20H28 C20H28O2 C20H30O2 C20H30O2-D1 C20H30O4 C20H31N C20H34 C20H37NAO7S C20H38O2 C20H40 C20H40-D1 C20H40O2 C20H42 C20H42O

TRIPHENYLETHYLENE 1,1,2-TRIPHENYLETHANE 1-N-DECYLNAPHTHALENE DEHYDROABIETIC-ACID ABIETIC-ACID NEOABIETIC-ACID DI-N-HEXYL-PHTHALATE DEHYDROABIETYLAMINE N-TETRADECYLBENZENE DIOCTYLSODIUM-SULFOSUCCINATE CETYL-METHACRYLATE N-PENTADECYLCYCLOPENTANE 1-EICOSENE N-EICOSANIC-ACID N-EICOSANE 1-EICOSANOL

X X X X X X X X X X X X X X X

X X X

X X X

X

X

X

X

X X X X X X X X X

X X X X X X X X X

X

X

X X X X

Physical Property Data 11.1

X X

Pure Component Databanks: C21+

Physical Property Data 11.1

Available in Databank Alias

Name

P11 P10 P93 P856PCD

C21H21O4P C21H36 C21H40O4 C21H42 C21H44 C22H34O4 C22H38 C22H42O4 C22H42O4-D1 C22H44O2 C22H46 C23H40 C23H48 C24H38O4 C24H38O4-D1 C24H38O4-D2 C24H42 C24H42O C24H50 C24H51N C25H20 C25H52 C26H20 C26H22 C26H42O4 C26H42O4-D1 C26H54 C27H46O C27H56 C28H46O4 C28H46O4-D1 C28H58 C29H50O C29H60 C30H48O6 C30H50O4 C30H62 C30H62-D1 C32H66 C36H74 C39H72O5 C57H104O6

TRI-O-CRESYL-PHOSPHATE N-PENTADECYLBENZENE MONOOLEIN N-HEXADECYLCYCLOPENTANE N-HENEICOSANE DIHEPTYL-PHTHALATE N-HEXADECYLBENZENE DI-2-ETHYLHEXYL-ADIPATE DIOCTYLADIPATE N-BUTYL-STEARATE N-DOCOSANE N-HEPTADECYLBENZENE N-TRICOSANE DIOCTYL-PHTHALATE DIISOOCTYL-PHTHALATE DIOCTYL-TEREPHTHALATE N-OCTADECYLBENZENE DINONYLPHENOL N-TETRACOSANE TRI-N-OCTYLAMINE TETRAPHENYLMETHANE N-PENTACOSANE TETRAPHENYLETHYLENE 1,1,2,2-TETRAPHENYLETHANE DI-N-NONYL-PHTHALATE DIISONONYL-PHTHALATE N-HEXACOSANE BETA-CHOLESTEROL N-HEPTACOSANE DIISODECYL-PHTHALATE DI-N-DECYL-PHTHALATE N-OCTACOSANE SITOSTEROL N-NONACOSANE TRI-N-HEPTYL-TRIMELLITATE DI-N-UNDECYL-PHTHALATE N-TRIACONTANE SQUALANE N-DOTRIACONTANE N-HEXATRIACONTANE DIOLEIN TRIOLEIN

X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X

X X

X X

X X X X X

X X

X X X X X X X X X X

X X X X X X X X X X

X X X X X

X X X X

X X X X

X

X

X

X

X

X X X X

X X X X

X

X

X X

X X

X

X X

X

X

X

Databanks • 1-61

Pure Component Databanks: Ca

Pure Component Databanks: Cl

Pure Component Databanks: Fe

Pure Component Databanks: H

1-62 • Databanks

Available in Databank Alias

Name

P11 P10 P93 P856PCD

CA CA(OH)2 CACL2 CACL2O2 CACO3 CAF2 CAO CASO4

CALCIUM CALCIUM-HYDROXIDE CALCIUM-CHLORIDE CALCIUM-HYPOCHLORITE CALCIUM-CARBONATE-CALCITE CALCIUM-FLUORIDE CALCIUM-OXIDE CALCIUM-SULFATE

X X X X X X X

X X X X X X X X

X X X X X X X X

X X X X X X

Available in Databank Alias

Name

P11 P10 P93 P856PCD

CL2 CLH4NO CLHO3S CLO2 CLO3F

CHLORINE HYDROXYLAMINE-HYDROCHLORIDE CHLOROSULFONIC-ACID CHLORINE-DIOXIDE PERCHLORYL-FLUORIDE

X X X X X

X X X X X

X X X X X

X

X

X X X

Available in Databank Alias

Name

P11 P10 P93 P856PCD

FE FE2O3 FECL2 FECL3 FEO FESO4

IRON HEMATITE FERROUS-CHLORIDE FERRIC-CHLORIDE FERROUS-OXIDE FERROUS-SULFATE

X X X X X X

X X X X X X

X X X X X X

X X

X X

Available in Databank Alias

Name

P11 P10 P93 P856PCD

H2 H2-PARA H2O H2O2 H2S H2SE H2SO4 H3BO3 H3N H3NO H3NO3S H3PO2 H3PO3 H3PO4 H4N2 HBR HCL

HYDROGEN HYDROGEN-PARA WATER HYDROGEN-PEROXIDE HYDROGEN-SULFIDE HYDROGEN-SELENIDE SULFURIC-ACID HYDROGEN-ORTHOBORATE AMMONIA HYDROXYLAMINE SULFAMIC-ACID HYPOPHOSPHOROUS-ACID PHOSPHOROUS-ACID ORTHOPHOSPHORIC-ACID HYDRAZINE HYDROGEN-BROMIDE HYDROGEN-CHLORIDE

X X X X X X X X X X X X X X X X X

X X X X X X X X X X X X X X X X X

X X X X X X X X X X X X X X X X X

X

X

X X X

X

X X X X X X X X X X X

Physical Property Data 11.1

X

X

X X X

Available in Databank

Pure Component Databanks: K

Pure Component Databanks: N

Physical Property Data 11.1

Alias

Name

P11 P10 P93 P856PCD

HCLO HCLO4 HF HI HNO2 HNO3 HNO5S

HYPOCHLOROUS-ACID PERCHLORIC-ACID HYDROGEN-FLUORIDE HYDROGEN-IODIDE NITROUS-ACID NITRIC-ACID NITROSYLSULFURIC-ACID

X X X X X X

X X X X X X X

X X X X X X X

X X X

X X

X

Available in Databank Alias

Name

P11 P10 P93 P856PCD

K K2CO3 K2HPO4 KBR KC2H3O2 KCL KCLO3 KI KOH

POTASSIUM POTASSIUM-CARBONATE DIPOTASSIUM-PHOSPHATE POTASSIUM-BROMIDE POTASSIUM-ACETATE POTASSIUM-CHLORIDE POTASSIUM-CHLORATE POTASSIUM-IODIDE POTASSIUM-HYDROXIDE

X X X X X X X X

X X X X X X X X X

X X X X X X X X X

X X

X X X

Available in Databank Alias

Name

P11 P10 P93 P856PCD

N2 N2F4 N2O N2O3 N2O4 N2O5 NCL3 NF3 NH4CL NH4CLO4 NH4HSO4 NH4NO3 NH4OH (NH4)2HPO4 (NH4)2SO3 (NH4)2SO4 NH5SO3 NH6PO4 NO NO2 NOCL

NITROGEN TETRAFLUOROHYDRAZINE NITROUS-OXIDE NITROGEN-TRIOXIDE NITROGEN-TETROXIDE NITROGEN-PENTOXIDE NITROGEN-TRICHLORIDE NITROGEN-TRIFLUORIDE AMMONIUM-CHLORIDE AMMONIUM-PERCHLORATE AMMONIUM-BISULFATE AMMONIUM-NITRATE AMMONIUM-HYDROXIDE DIAMMONIUM-PHOSPHATE AMMONIUM-SULFITE AMMONIUM-SULFATE AMMONIUM-BISULFITE AMMONIUM-PHOSPHATE NITRIC-OXIDE NITROGEN-DIOXIDE NITROSYL-CHLORIDE

X X X X X X X X X X X X X X X X X X X X X

X X X X X X X X X X X X X X X X X X X X X

X X X X X X X X X X X X X X X X X X X X X

X X X X X X X X X

X X

X

X X X X X X X X

Databanks • 1-63

X X X

Pure Component Databanks: Na

Pure Component Databanks: O

1-64 • Databanks

Available in Databank Alias

Name

P11 P10 P93 P856PCD

NA NA2CO3 NA2CR2O7 NA2HPO4 NA2O2 NA2S NA2S2O3 NA2S2O4 NA2SIO3 NA2SO4 NA3PO4 NA4P2O7 NA5P3O10 NA6P6O18 NABO3 NABR NAC5H8NO4 NACHO2 NACL NACLO NACLO3 NACN NAF NAH2PO4 NAHCO3 NAHSO3 NAHSO4 NAI NANH2 NANO2 NANO3 NAOH

SODIUM SODIUM-CARBONATE SODIUM-DICHROMATE DISODIUM-PHOSPHATE SODIUM-PEROXIDE SODIUM-SULFIDE SODIUM-THIOSULFATE SODIUM-HYDROSULFITE SODIUM-SILICATE SODIUM-SULFATE TRISODIUM-PHOSPHATE TETRASODIUM-PYROPHOSPHATE SODIUM-TRIPOLYPHOSPHATE SODIUM-HEXAMETAPHOSPHATE SODIUM-PERBORATE SODIUM-BROMIDE MONOSODIUM-GLUTAMATE SODIUM-FORMATE SODIUM-CHLORIDE SODIUM-HYPOCHLORITE SODIUM-CHLORATE SODIUM-CYANIDE SODIUM-FLUORIDE MONOSODIUM-PHOSPHATE SODIUM-BICARBONATE SODIUM-BISULFITE SODIUM-BISULFATE SODIUM-IODIDE SODIUM-AMIDE SODIUM-NITRITE SODIUM-NITRATE SODIUM-HYDROXIDE

X X X X X X X X X X X X X X X X X X X X X X X X X X X

X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X

X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X

X X X X X X X X X X X X X X X X X X X X X X X X

Available in Databank Alias

Name

P11 P10 P93 P856PCD

O2 O2S O3 O3S

OXYGEN SULFUR-DIOXIDE OZONE SULFUR-TRIOXIDE

X X X X

X X X X

X X X X

X X X X

Physical Property Data 11.1

X X X X

Pure Component Databanks: P

Pure Component Databanks: S

Pure Component Databanks: Si

Pure Component Databanks: Other Elements

Physical Property Data 11.1

Available in Databank Alias

Name

P11 P10 P93 P856PCD

P-R P-W P4O10 P4S10 PCL3 PCL5 PH3 POCL3 PSCL3

PHOSPHORUS-RED PHOSPHORUS-WHITE TETRAPHOSPHORUS-DECAOXIDE PHOSPHORUS-PENTASULFIDE PHOSPHORUS-TRICHLORIDE PHOSPHORUS-PENTACHLORIDE PHOSPHINE PHOSPHORUS-OXYCHLORIDE PHOSPHORUS-THIOCHLORIDE

X X X X X X X X X

X X X X X X X X

X X X X X X X X

X X X X X X X X

X

Available in Databank Alias

Name

P11 P10 P93 P856PCD

S SCL2 SF6 SO2CL2 SOCL2

SULFUR SULFUR-DICHLORIDE SULFUR-HEXAFLUORIDE SULFURYL-CHLORIDE THIONYL-CHLORIDE

X X X X X

X X X X X

X X X X X

X X X X

X

Available in Databank Alias

Name

P11 P10 P93 P856PCD

SI SI2H6 SIC SICL4 SIF4 SIH2CL2 SIH4 SIHCL3 SIO2

SILICON DISILANE SILICON-CARBIDE SILICON-TETRACHLORIDE SILICON-TETRAFLUORIDE DICHLOROSILANE SILANE TRICHLOROSILANE SILICON-DIOXIDE

X X X X X X X X X

X X X X X X X X X

X X X X X X X X X

X X X X X X X X X

X X

Available in Databank Alias

Name

P11 P10 P93 P856PCD

AG AIR AR AS AS2O3 ASH3 BACO3 BE BI BR2 CRO3 CUCL CUCL2

SILVER AIR ARGON ARSENIC ARSENIC-TRIOXIDE ARSINE BARIUM-CARBONATE BERYLLIUM BISMUTH BROMINE CHROMIUM-TRIOXIDE CUPROUS-CHLORIDE COPPER-DICHLORIDE

X X X X X X X X X X X X X

X X X X X X X X X X X X X

X X X X X X X X X X X X X

X X X

X

X X

X X X X

Databanks • 1-65

X

Available in Databank

Pure Component Databanks: Heating Fluids

1-66 • Databanks

Alias

Name

P11 P10 P93 P856PCD

CUSO4 D2 D2O F2 FHO3S GACL3 GE GEH4 HE-3 HE-4 HG I2 KR LI LIH2PO4 LII MG(NO3)2 MGO MGSO4 NE SBCL3 SELEXOL TICL3 TICL4 TIO2 V VCL3O VCL4 XE ZN ZNO ZNSO4

COPPER-SULFATE DEUTERIUM DEUTERIUM-OXIDE FLUORINE FLUOROSULFONIC-ACID GALLIUM-TRICHLORIDE GERMANIUM GERMANIUM-TETRAHYDRIDE HELIUM-3 HELIUM-4 MERCURY IODINE KRYPTON LITHIUM MONOLITHIUM-PHOSPHATE LITHIUM-IODIDE MAGNESIUM-NITRATE MAGNESIUM-OXIDE MAGNESIUM-SULFATE NEON ANTIMONY-TRICHLORIDE SELEXOL TITANIUM-TRICHLORIDE TITANIUM-TETRACHLORIDE TITANIUM-DIOXIDE-RUTILE VANADIUM VANADIUM-OXYTRICHLORIDE VANADIUM-TETRACHLORIDE XENON ZINC ZINC-OXIDE ZINC-SULFATE

X X X X X X X X X X X X X X X X X X X X X

X X X X X X X X X X X X X X

X X X X X X X X X X X X X X

X X X X X X X

X X X X X

X X X X X

X X X X

X X X X X X X X X X

X X X X X X X X X X

X X X X X X X X X X

X X X X

X X X

X

X X X

X X

X X X X X X X X X

X

Available in Databank Alias

Name

P11 P10

CACL2-15 CACL2-25 CALFLO-AF CALFLO-HTF CHEM550 DEGLY-20 DEGLY-40 DEGLY-60 DEGLY-80 DEPG

CALCIUM-CHLORIDE-15-WT-% CALCIUM-CHLORIDE-25-WT% CALFLO-AF CALFLO-HTF CHEMTHERM-550 DIETHLENE-GLYCOL-20-WT-% DIETHYLENE-GLYCOL-40-WT-% DIETHYLENE-GLYCOL-60-WT-% DIETHLENE-GLYCOL-80-WT-% DIMETHYL-ETHER-POLYETHYLENE-

X X X X X X X X X X

X X X X X X X X X

Physical Property Data 11.1

Available in Databank

Physical Property Data 11.1

Alias

Name

P11 P10

DOWA DOWG DOWJ EGLY-20 EGLY-40 EGLY-60 MARLO-S MBL603 MBL605 MBLLIGHT PGLY-20 PGLY-60 R123 R502 R503 SHELL15 SHELL33 SYL-XLT SYL800 SYN350 TEGLY-40 TEGLY-80 TEGLY-L THERM44 THERM55 THERM550 THERM60 THERM600 THERM66 THERM77 THERM800 THERMFG1 THERMFR0 THERMFR1 THERMFR2 THERMFR3 THERMVP1

GLYC DOWTHERM-A DOWTHERM-G DOWTHERM-J ETHYLENE-GLYCOL-20-WT-% ETHYLENE-GLYCOL-40-WT-% ETHYLENE-GLYCOL-60-WT-% MARLOTHERM-S MOBILTHERM-603 MOBILTHERM-605 MOBILTHERM-LIGHT PROPYLENE-GLYCOL-20-WT-% PROPYLENE-GLYCOL-60-WT-% REFRIGERANT-123 REFRIGERANT-502 REFRIGERANT-503 SHELL15 SHELL33 SYLTHERM-XLT SYLTHERM-800 SYNTREL-350 TRIETHYLENE-GLYCOL-40-WT-% TRIETHYLENE-GLYCOL-80-WT-% TEGLY-L THERMINOL-44 THERMINOL-55 THERMALANE-550-(FG-1) THERMINOL-60 THERMALANE-600 THERMINOL-66 THERMINOL-77 THERMALANE-800 THERMFG1 THERMINOL-FR-0 THERMINOL-FR-1 THERMINOL-FR-2 THERMINOL-FR-3 THERMINOL-VP-1

X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X

X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X

Databanks • 1-67

Aqueous Component Databanks The tables below list the components present in the aqueous component databanks AQUEOUS and AQU92. Components beginning with: C1

Aqueous Component Databank Parameters

C2

C3

C4

C5

C6

C7

C8

C9

C10

C11+ Ag

Al

Au

B

Ba

Br

Ca

Cd

Ce

Cl

Co

Cr

Cs

Cu

Dy

Er

Eu

Fe

Ga

Gd

Ge

H

Hg

Ho

I

In

K

La

Li

Lu

Mg

Mn

N

Na

Nd

Ni

O

P

Pb

Pd

Pr

Pt

Rb

S

Sc

Sm

Sn

Sr

Tb

Th

Tl

Tm

U

V

Y

Yb

Zn

Zr

Other

The AQUEOUS and AQU92 databanks have data for the following parameters: Parameter Name

Description

ATOMNO

Vector containing the atom types (atomic numbers) for a given molecule (e.g., H=1, C=6, O=8). Must use the vector NOATOM to define the number of occurrences of each atom. Ionic charge Aqueous phase heat capacity at infinite dilution Ideal gas heat capacity coefficients Aqueous free energy of formation at infinite dilution Standard free energy of formation Aqueous heat of formation at infinite dilution Standard heat of formation Bromley-Pitzer model ion-specific B parameter Bromley-Pitzer model ion-specific delta parameter Criss-Cobble ion type Molecular weight Vector containing the number of occurrences of each atom defined in ATOMNO for a given molecule. ATOMNO and NOATOM define the chemical formula of the molecule. Antoine liquid vapor pressure coefficients Pauling ion radius

CHARGE CPAQ0 CPIG DGAQFM DGFORM DHAQFM DHFORM GMBPB GMBPD IONTYP MW NOATOM

PLXANT PRADII 1-68 • Databanks

Physical Property Data 11.1

Parameter Name

Description

S025C VLBROC

Criss-Cobble absolute entropy at 25°C Partial molal volume at infinite dilution

AQ = AQUEOUS Databank AQ9 = AQ92 Databank Aqueous Component Databanks: Ag

Physical Property Data 11.1

Available in Databank Alias

Name

AQ AQ9

AG(C2H4NO2) AG(C2H6NH)2+ AG(CH3CO2)2AG(CH3NH2)2+ AG(CN)2AG(CN)OHAG(CO3)AG(CO3)2-3 AG(NH3)+ AG(NH3)2+ AG(NH3)2BR AG(NH3)2CL AG(NO2)2AG(OH)2AG(S2O3)2-3 AG(SCN)2AG(SCN)3-2 AG(SCN)4-3 AG+ AG+2 AG2(CH3CO2)+ AG2SO3 AGBR AGBR2AGBR3-2 AGC2H4+ AGCH3CO2 AGCL AGCL2AGCL3-2 AGCL3BR-3 AGCL4-3 AGCLBR3-3 AGF AGI AGI2AGI3-2 AGI4-3

AG(NH2CH2COO) AG(C2H6NH)2+ AG(CH3COO)2AG(CH3NH2)2+ AG(CN)2AG(CN)OHAG(CO3)AG(CO3)2--AG(NH3)+ AG(NH3)2+ AG(NH3)2BR AG(NH3)2CL AG(NO2)2AG(OH)2AG(S2O3)2--AG(CNS)2AG(CNS)3-AG(CNS)4--AG+ AG++ AG2(CH3COO)+ AG2SO3 SILVER-BROMIDE AGBR2AGBR3-AGC2H4+ SILVER-ACETATE SILVER-CHLORIDE AGCL2AGCL3-AGBRCL3--AGCL4--AGBR3CL--SILVER-FLUORIDE SILVER-IODIDE AGI2AGI3-AGI4---

X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X

X X X X X X

X X X X X X X X X X X X X X X X X X X X X X X X X X X X

Databanks • 1-69

Available in Databank

Aqueous Component Databanks: Al

Aqueous Component Databanks: Au

1-70 • Databanks

Alias

Name

AQ AQ9

AGNO3 AGOH AGSCN AGSO3AGSO4-

SILVER-NITRATE SILVER-HYDROXIDE SILVER-THIOCYANATE AGSO3AGSO4-

X X X X X

X X X X X

Available in Databank Alias

Name

AQ AQ9

AL(AC)+2 AL(AC)2+ AL(OH)2+ AL(OH)4AL(SO4)2AL+3 ALF+2 ALF2+ ALF3 ALF4ALF5-2 ALF6-3 ALO2ALOH+2 ALSO4+

ALCH3COO+2 AL(CH3COO)2+ AL(OH)2+ AL(OH)4AL(SO4)2AL+++ ALF++ ALF2+ ALUMINIUM-FLUORIDE ALF4ALF5-ALF6--ALO2ALOH++ ALSO4+

X X X X X X X X X X X X X X X

X X X X X X X X X X X X

Available in Databank Alias

Name

AQ AQ9

AU(AC) AU(AC)2AU(CN)2AU(OH)3 AU(SCN)2AU(SCN)4AU(SCN)5-2 AU(SCN)6-3 AU+ AU+3 AUBR2AUBR4AUCL2AUCL4AUO3-3

AUCH3COO AU(CH3COO)2AU(CN)2GOLD-HYDROXIDE AU(CNS)2AU(CNS)4AU(CNS)5-2 AU(CNS)6-3 AU+ AU+++ AUBR2AUBR4AUCL2AUCL4AUO3---

X X X X X X X X X X X X X X X

X X X X X X X X X X X X

Physical Property Data 11.1

Aqueous Component Databanks: B

Aqueous Component Databanks: Ba

Aqueous Component Databanks: Br

Physical Property Data 11.1

Available in Databank Alias

Name

AQ AQ9

B(OH)4B4O7-2 BF2(OH)2BF3OHBF4BH4BO2-

B(OH)4B4O7-BF2(OH)2BF3OHBF4BH4BO2-

X X X X X X X

X X X X X X X

Available in Databank Alias

Name

AQ AQ9

BA(AC)+ BA(AC)2 BA(ALA)+ BA(ALA)2 BA(BUT)+ BA(BUT)2 BA(FOR)+ BA(FOR)2 BA(GLY)+ BA(GLY)2 BA(GLYC)+ BA(GLYC)2 BA(LAC)+ BA(LAC)2 BA(PENT)+ BA(PENT)2 BA(PROP)+ BA(PROP)2 BA+2 BACL+ BACO3 BAF+ BANO3+ BAOH+

BACH3COO+ BA(CH3COO)2 BA(C3H6NO2)+ BA(C3H6NO2)2 BACH3(CH2)2CO2+ BA(CH3CH2CH2CO2)2 BACHO2+ BA(CHO2)2 BA(C2H4NO2)+ BA(C2H4NO2)2 BACH3OCO2+ BA(CH3OCO2)2 BACH3CH2OCO2+ BA(CH3CH2OCO2)2 BACH3(CH2)3CO2+ BA(CH3CH2CH2CH2CO2)2 BACH3CH2CO2+ BA(CH3CH2CO2)2 BA++ BACL+ BARIUM-CARBONATE BAF+ BANO3+ BA(OH)+

X X X X X X X X X X X X X X X X X X X X X X X X

X

X X

Available in Databank Alias

Name

AQ AQ9

BRBR2 BR2CLBR3BR5BRI2BROBRO3-

BRBROMINE BR2CLBR3BR5BRI2BROBRO3-

X X X X X X X X

X X X X X X X X

Databanks • 1-71

Available in Databank

Aqueous Component Databanks: C1

Aqueous Component Databanks: C2

1-72 • Databanks

Alias

Name

AQ AQ9

BRO4-

BRO4-

X

X

Available in Databank Alias

Name

AQ AQ9

CH2O CH2O2 (CH3)2NH2+ (CH3)3NH+ CH3CL CH3COOCH3NH3+ CH3NH3OH CH4 CH4N2O CH4O CH5N CH5N3O CHN CHO2CNSCNCO CO2 CO3-2

FORMALDEHYDE FORMIC-ACID (CH3)2NH2+ (CH3)3NH+ METHYL-CHLORIDE CH3COOCH3NH3+ CH3NH3OH METHANE UREA METHANOL METHYL-AMINE NH2CONHNH2 HYDROGEN-CYANIDE HCOOCNCNSCARBON-MONOXIDE CARBON-DIOXIDE CO3--

X X X X X X X X X X X X X X X X X X X X

X X X X X X X X X X X X X X X X X X

Available in Databank Alias

Name

AQ AQ9

C2H2 C2H2O4 C2H3O3C2H4 C2H4O-1 C2H4O2-1 C2H4O3-D1 C2H5COOC2H5NO-D1 C2H5NO2-D1 C2H5OC2H6 C2H6NSO3C2H6O-2 C2H7N-1 C2H7N-2 C2H7NSO3 C2H8NO+

ACETYLENE OXALIC-ACID GLYCOLATE ETHYLENE ACETALDEHYDE ACETIC-ACID GLYCOLIC-ACID PROPANOATE ACETAMIDE GLYCINE CH3CH2OETHANE NH2(CH2)2SO3ETHANOL ETHYL-AMINE DIMETHYLAMINE NH2(CH2)2SO3H MEA+

X X X X X X X X X X X X X X X X X X

X X X

X X X X X X X

Physical Property Data 11.1

Available in Databank

Aqueous Component Databanks: C3

Aqueous Component Databanks: C4

Physical Property Data 11.1

Alias

Name

AQ AQ9

C2H9NO C2O4-2

(CH3)2NH2OH C2O4--

X X

X X

Available in Databank Alias

Name

AQ AQ9

C3H11NO C3H2O4-2 C3H3O4C3H4-2 C3H4O4 C3H5O3C3H6-2 C3H6NO3C3H6O-1 C3H6O-3 C3H6O2-1 C3H6O3-D1 C3H7COOC3H7NO2 C3H7NO3 C3H8 C3H8O-1 C3H9N-1 C3H9N-3

(CH3)3NHOH MALONATE H-MALONATE METHYL-ACETYLENE MALONIC-ACID LACTATE PROPYLENE MEACOOACETONE N-PROPIONALDEHYDE PROPIONIC-ACID LACTIC-ACID BUTANOATE ALANINE SERINE PROPANE 1-PROPANOL N-PROPYL-AMINE TRIMETHYL-AMINE

X X X X X X X X X X X X X X X X X X X

X

X

X

Available in Databank Alias

Name

AQ AQ9

C4H10-1 C4H10O-1 C4H11N-1 C4H11NO-1 C4H12NO+ C4H12NO2+ C4H12NOO+ C4H4O4-2 C4H5O4C4H6-1 C4H6N2O2 C4H6O4-2 C4H7NO4 C4H7O3C4H8-1 C4H8N2O3-A C4H8N2O3-D C4H8O-1

N-BUTANE N-BUTANOL N-BUTYL-AMINE 2-AMINO-2-METHYL-1-PROPANOL AMP+ DEA+ DGA+ SUCCINATE H-SUCCINATE 1-BUTYNE DIKETOPIPERAZINE SUCCINIC-ACID ASPARTIC-ACID 2-HYDROXYBUTANOATE 1-BUTENE ASPARAGINE DIGLYCINE N-BUTYRALDEHYDE

X X X X X X X X X X X X X X X X X X

X X X X

Databanks • 1-73

Available in Databank

Aqueous Component Databanks: C5

Aqueous Component Databanks: C6

1-74 • Databanks

Alias

Name

AQ AQ9

C4H8O-2 C4H8O2-1 C4H8O2-3 C4H8O3-1 C4H9COOC4H9NO2 C4H9NO3

ISOBUTYRALDEHYDE N-BUTYRIC-ACID ETHYL-ACETATE 2-HYDROXYBUTANOIC-ACID PENTANOATE A-AMINOBUTYRIC THREONINE

X X X X X X X

Available in Databank Alias

Name

AQ AQ9

C5H10-2 C5H10N2O3-A C5H10N2O3-G C5H10NO4C5H10NOO3C5H10O-1 C5H10O-2 C5H10O2 C5H10O3 C5H11COOC5H11NO2 C5H11NO2S C5H12-1 C5H12O-1 C5H13N C5H14NO2+ C5H6O4-2 C5H7O4C5H8-5 C5H8O4 C5H9NO4 C5H9O3-

1-PENTENE ALANYLGLYCINE GLUTAMINE DEACOODGACOOVALERALDEHYDE METHYL-N-PROPYL-KETONE NEOPENTANOIC-ACID 2-HYDROXYPENTANOIC-ACID HEXANOATE VALINE METHIONINE N-PENTANE 1-PENTANOL N-PENTYLAMINE MDEA+ GLUTARATE H-GLUTARATE 1-PENTYNE GLUTARIC-ACID L-GLUTAMIC-ACID 2-HYDROXYPENTANOATE

X X X X X X X X X X X X X X X X X X X X X X

X X

X

Available in Databank Alias

Name

AQ AQ9

C6H10-E2 C6H10O4-D1 C6H11O3C6H12-3 C6H12O-D2 C6H12O-D3 C6H12O2-D5 C6H12O3-E1 C6H13COOC6H13NO2

1-HEXYNE ADIPIC-ACID 2-HYDROXYHEXANOATE 1-HEXENE 1-HEXANAL 2-HEXANONE N-HEXANOIC-ACID HYDROXYCAPROIC-ACID HEPTANOATE LEUCINE

X X X X X X X X X X

Physical Property Data 11.1

Available in Databank

Aqueous Component Databanks: C7

Aqueous Component Databanks: C8

Physical Property Data 11.1

Alias

Name

AQ AQ9

C6H13NO2-I C6H14-1 C6H14O-1 C6H15N-D2 C6H6 C6H6O C6H8O4-2 C6H9O4-

ISOLEUCINE N-HEXANE 1-HEXANOL N-HEXYLAMINE BENZENE PHENOL ADIPATE H-ADIPATE

X X X X X X X X

Available in Databank Alias

Name

AQ AQ9

C7H10O4-2 C7H11O4C7H12-D1 C7H12O4-D1 C7H13O3C7H14-7 C7H14O-D1 C7H14O-D2 C7H14O2-D3 C7H14O3-1 C7H15COOC7H16-1 C7H16O C7H17N C7H5O2C7H6O2 C7H8

PIMELATE H-PIMELATE 1-HEPTYNE PIMELIC-ACID 2-HYDROXYHEPTANOATE 1-HEPTENE 1-HEPTANAL 2-HEPTANONE N-HEPTANOIC-ACID 2-HYDROXYHEPTANOIC-ACID OCTANOATE N-HEPTANE 1-HEPTANOL 1-AMINOHEPTANE BENZOATE BENZOIC-ACID TOLUENE

X X X X X X X X X X X X X X X X X

Available in Databank Alias

Name

AQ AQ9

C8H10-4 C8H12O4-2 C8H13O4C8H14-D1 C8H14O4-D1 C8H15O3C8H16-16 C8H16N2O3 C8H16O-E1 C8H16O-E2 C8H16O2-D3 C8H16O3-1 C8H18-1 C8H18O-1

ETHYLBENZENE SUBERATE H-SUBERATE 1-OCTYNE SUBERIC-ACID 2-HYDROXYOCTANOATE 1-OCTENE LEUCYLGLYCINE 1-OCTANAL 2-OCTANONE N-OCTANOIC-ACID 2-HYDROXYOCTANOIC-ACID N-OCTANE 1-OCTANOL

X X X X X X X X X X X X X X

Databanks • 1-75

Available in Databank

Aqueous Component Databanks: C9

Aqueous Component Databanks: C10

Aqueous Component Databanks: C11+

1-76 • Databanks

Alias

Name

AQ AQ9

C8H19N-D0 M-C8H7O2O-C8H7O2P-C8H7O2C8H8O2-D1 C8H8O2-D2 C8H8O2-M

N-OCTYLAMINE M-TOLUATE O-TOLUATE P-TOLUATE O-TOLUIC-ACID P-TOLUIC-ACID M-TOLUIC-ACID

X X X X X X X

Available in Databank Alias

Name

AQ AQ9

C9H11NO2 C9H11NO3 C9H12-1 C9H14O4-2 C9H15O4C9H16O4 C9H17O2C9H17O3C9H18O C9H18O2 C9H18O3-1

L-PHENYLALANINE TYROSINE N-PROPYLBENZENE AZELATE H-AZELATE AZELAIC-ACID NONANOATE 2-HYDROXYNONANOATE 1-NONANAL N-NONANOIC-ACID 2-HYDROXYNONANOIC-ACID

X X X X X X X X X X X

Available in Databank Alias

Name

AQ AQ9

C10H14-1 C10H16O4-2 C10H17O4C10H18O4 C10H19O2C10H19O3C10H20O C10H20O2-D1 C10H20O3

N-BUTYLBENZENE SEBACATE H-SEBACATE SEBACIC-ACID DECANOATE 2-HYDROXYDECANOATE 1-DECANAL N-DECANOIC-ACID 2-HYDROXYDECANOIC-ACID

X X X X X X X X X

Available in Databank Alias

Name

AQ AQ9

C11H12N2O2 C11H16 C11H21O2C11H22O2-D3 C12H18-D3 C12H23O2C12H24O2 C13H20 C14H22

TRYPTOPHAN N-PENTYLBENZENE UNDECANOATE N-UNDECANOIC-ACID N-HEXYLBENZENE DODECANOATE N-DODECANOIC-ACID N-HEPTYLBENZENE N-OCTYLBENZENE

X X X X X X X X X

Physical Property Data 11.1

Aqueous Component Databanks: Ca

Aqueous Component Databanks: Cd

Physical Property Data 11.1

Available in Databank Alias

Name

AQ AQ9

CA(AC)2 CA(ALA)+ CA(ALA)2 CA(BUT)+ CA(BUT)2 CA(FOR)+ CA(FOR)2 CA(GLY)+ CA(GLY)2 CA(GLYC)+ CA(GLYC)2 CA(HCO3)+ CA(LAC)+ CA(LAC)2 CA(PENT)+ CA(PENT)2 CA(PROP)+ CA(PROP)2 CA+2 CACH3CO2+ CACL+ CACL2 CACO3 CAF+ CAOH+ CASO4

CA(CH3COO)2 CA(C3H6NO2)+ CA(C3H6NO2)2 CACH3(CH2)2CO2+ CA(CH3CH2CH2CO2)2 CACHO2+ CA(CHO2)2 CA(C2H4NO2)+ CA(C2H4NO2)2 CACH3OCO2+ CA(CH3OCO2)2 CA(HCO3)+ CACH3CH2OCO2+ CA(CH3CH2OCO2)2 CACH3(CH2)3CO2+ CA(CH3CH2CH2CH2CO2)2 CACH3CH2CO2+ CA(CH3CH2CO2)2 CA++ CACH3CO2+ CACL+ CALCIUM-CHLORIDE CALCIUM-CARBONATE-CALCITE CAF+ CAOH+ CALCIUM-SULFATE

X X X X X X X X X X X X X X X X X X X X X X X X X X

X X

X X X

Available in Databank Alias

Name

AQ AQ9

CD(AC)+ CD(AC)2 CD(AC)3CD(ALA)+ CD(ALA)2 CD(BUT)+ CD(BUT)2 CD(CH5N)2+2 CD(CH5N)4+2 CD(CN)4-2 CD(FOR)+ CD(FOR)2 CD(GLY)+ CD(GLY)2 CD(GLYC)+ CD(GLYC)2

CDCH3COO+ CD(CH3COO)2 CD(CH3COO)3CD(C3H6NO2)+ CD(C3H6NO2)2 CDCH3(CH2)2CO2+ CD(CH3CH2CH2CO2)2 CD(NH2CH3)2++ CD(NH2CH3)4++ CD(CN)4-CDCHO2+ CD(CHO2)2 CD(C2H4NO2)+ CD(C2H4NO2)2 CDCH3OCO2+ CD(CH3OCO2)2

X X X X X X X X X X X X X X X X

X X X

Databanks • 1-77

Available in Databank

Aqueous Component Databanks: Ce

1-78 • Databanks

Alias

Name

AQ AQ9

CD(LAC)+ CD(LAC)2 CD(NH3)2+2 CD(NH3)4+2 CD(PENT)+ CD(PENT)2 CD(PROP)+ CD(PROP)2 CD+2 CDBR+ CDCL+ CDCL2 CDCL3CDI+ CDI3CDI4-2

CDCH3CH2OCO2+ CD(CH3CH2OCO2)2 CD(NH3)2++ CD(NH3)4++ CDCH3(CH2)3CO2+ CD(CH3CH2CH2CH2CO2)2 CDCH3CH2CO2+ CD(CH3CH2CO2)2 CD++ CDBR+ CDCL+ CADMIUM-CHLORIDE CDCL3CDI+ CDI3CDI4--

X X X X X X X X X X X X X X X X

X X

X X X X X X X X

Available in Databank Alias

Name

AQ AQ9

CE(CH3CO2)2+ CE(CH3CO2)3 CE(SO4)2CE+3 CE+4 CEBR+2 CECH3CO2+2 CECL+2 CECL2+ CECL3-AQ CECL4CECLO4+2 CECO3+ CEF+2 CEF2+ CEF3-AQ CEF4CEH2PO4+2 CEHCO3+2 CEIO3+2 CENO3+2 CEO+ CEO2CEO2H CEOH+2 CEOH+3

CE(CH3CO2)2+ CERIUM-TRIACETATE CE(SO4)2CE+++ CE++++ CEBR+2 CECH3CO2++ CECL++ CECL2+ CERIUM-CHLORIDE,AQ CECL4CECLO4++ CECO3+ CEF+2 CEF2+ CERIUM-FLUORIDE,AQ CEF4CEH2PO4+2 CEHCO3+2 CEIO3+2 CENO3+2 CEO+ CEO2CEO2H,AQ CEOH+2 CEOH+++

X X X X X X X X X X X X X X X X X X X X X X X X X X

X X X X X X X

X

X

Physical Property Data 11.1

Available in Databank

Aqueous Component Databanks: Cl

Aqueous Component Databanks: Co

Physical Property Data 11.1

Alias

Name

AQ AQ9

CESO4+

CESO4+

X

X

Available in Databank Alias

Name

AQ AQ9

CLCL2 CL2O CL3CLOCLO2 CLO2CLO3CLO4-

CLCHLORINE DICHLORINE-MONOXIDE CL3CLOCHLORINE-DIOXIDE CLO2CLO3CLO4-

X X X X X X X X X

X X X X X X X X X

Available in Databank Alias

Name

AQ AQ9

COC2O4 CO(AC)+ CO(AC)2 CO(AC)3CO(ALA)+ CO(ALA)2 CO(BUT)+ CO(BUT)2 CO(C2H4NO2)2 CO(C2O4)2-2 CO(FOR)+ CO(FOR)2 CO(GLYC)+ CO(GLYC)2 CO(LAC)+ CO(LAC)2 CO(NH3)+2 CO(NH3)5CL+2 CO(NH3)5NO2 CO(NH3)6+3 CO(NH3)6BR+2 CO(NH3)6CL+2 CO(NH3)6I+2 CO(NH3)6N3+2 CO(NH3)6SO4+ CO(PENT)+ CO(PENT)2 CO(PROP)+ CO(PROP)2

COBALT-OXALATE COCH3COO+ CO(CH3COO)2 CO(CH3COO)3CO(C3H6NO2)+ CO(C3H6NO2)2 COCH3(CH2)2CO2+ CO(CH3CH2CH2CO2)2 CO(NH2CH2COO)2 CO(C2O4)2-COCHO2+ CO(CHO2)2 COCH3OCO2+ CO(CH3OCO2)2 COCH3CH2OCO2+ CO(CH3CH2OCO2)2 CO(NH3)++ CO(NH3)5CL++ CO(NH3)5NO2++ CO(NH3)6+3 CO(NH3)6BR++ CO(NH3)6CL++ CO(NH3)6I++ CO(NH3)6N3++ CO(NH3)6SO4+ COCH3(CH2)3CO2+ CO(CH3CH2CH2CH2CO2)2 COCH3CH2CO2+ CO(CH3CH2CO2)2

X X X X X X X X X X X X X X X X X X X X X X X X X X X X X

X

X X

X X X X X X X X X

Databanks • 1-79

Available in Databank

Aqueous Component Databanks: Cr

Aqueous Component Databanks: Cs

Aqueous Component Databanks: Cu

1-80 • Databanks

Alias

Name

AQ AQ9

CO+2 CO+3 COC2H4NO2+ COCL+

CO++ CO+++ CONH2CH2COO+ COCL+

X X X X

X X X X

Available in Databank Alias

Name

AQ AQ9

CR+2 CR+3 CR2O7-2 CRCL2+ CRO4-2 CROH+2

CR++ CR+++ CR2O7-CRCL2+ CRO4-CROH++

X X X X X X

X X X X X

Available in Databank Alias

Name

AQ AQ9

CS(AC) CS(AC)2CS+ CSBR CSCL CSI

CSCH3COO CS(CH3COO)2CS+ CESIUM-BROMIDE CESIUM-CHLORIDE CESIUM-IODIDE

X X X X X X

X

Available in Databank Alias

Name

AQ AQ9

CU(AC) CU(AC)2CU(AC)3CU(ALA)+ CU(ALA)2 CU(BUT)+ CU(BUT)2 CU(C2H4NO2)+ CU(C2H4NO2)2 CU(C2O4)2-2 CU(CH3CO2)2 CU(CN)2CU(CN)3-2 CU(CN)4-3 CU(GLYC)+ CU(GLYC)2 CU(LAC)+ CU(LAC)2 CU(NH3)+2 CU(NH3)2+2

CUCH3COO CU(CH3COO)2CU(CH3COO)3CU(C3H6NO2)+ CU(C3H6NO2)2 CUCH3(CH2)2CO2+ CU(CH3CH2CH2CO2)2 CU(NH2CH2COO)+ CU(NH2CH2COO)2 CU(C2O4)2-COPPER-DIACETATE CU(CN)2CU(CN)3-CU(CN)4--CUCH3OCO2+ CU(CH3OCO2)2 CUCH3CH2OCO2+ CU(CH3CH2OCO2)2 CU(NH3)++ CU(NH3)2++

X X X X X X X X X X X X X X X X X X X X

X X X X X X X

X X

Physical Property Data 11.1

Available in Databank

Aqueous Component Databanks: Dy

Physical Property Data 11.1

Alias

Name

AQ AQ9

CU(NH3)3+2 CU(NH3)4+2 CU(NH3)5+2 CU(P2O7)2-6 CU(PENT)+ CU(PENT)2 CU(PROP)+ CU(PROP)2 CU(SCN)2 CU(SCN)4-3 CU(SO3)2-3 CU(SO3)3-5 CU+ CU+2 CUBR+ CUC2H2O4 CUC2O4 CUCH3CO2+ CUCHO2+ CUCL+ CUCL2 CUCL2CUCL3-2 CUF+ CUN2H6P2O7-2 CUO2-2 CUP2O7-2 CUSCN+ CUSO3CUSO4

CU(NH3)3++ CU(NH3)4++ CU(NH3)5++ CU(P2O7)2-6 CUCH3(CH2)3CO2+ CU(CH3CH2CH2CH2CO2)2 CUCH3CH2CO2+ CU(CH3CH2CO2)2 COPPER-THIOCYANATE CU(CNS)4-3 CU(SO3)2--CU(SO3)3-5 CU+ CU++ CUBR+ CU(CHO2)2 COPPER-OXALATE CUCH3COO+ CUHCOO+ CUCL+ COPPER-DICHLORIDE CUCL2CUCL3-CUF+ CU(NH3)2P2O7-2 CUO2-CUP2O7-CUCNS+ CUSO3COPPER-SULFATE

X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X

X X X X

X X X X X X X X X X X X X X X X X X X X X

Available in Databank Alias

Name

AQ AQ9

DY(CH3CO2)2+ DY(CH3CO2)3 DY(SO4)2DY+3 DYCH3CO2+2 DYCL+2 DYCL2+ DYCL3-AQ DYCL4DYCO3+ DYF+2 DYF2+

DY(CH3CO2)2+ DYSPROSIUM-TRIACETATE DY(SO4)2DY+3 DYCH3CO2++ DYCL+2 DYCL2+ DYSPROSIUM-CHLORIDE,AQ DYCL4DYCO3+ DYF+2 DYF2+

X X X X X X X X X X X X

X X X X X

Databanks • 1-81

Available in Databank

Aqueous Component Databanks: Er

Aqueous Component Databanks: Eu

1-82 • Databanks

Alias

Name

AQ AQ9

DYF3-AQ DYF4DYH2PO4+2 DYHCO3+2 DYNO3+2 DYO+ DYO2DYO2H DYOH+2 DYSO4+

DYSPROSIUM-FLUORIDE,AQ DYF4DYH2PO4+2 DYHCO3+2 DYNO3+2 DYO+ DYO2DYO2H,AQ DYOH+2 DYSO4+

X X X X X X X X X X

X

Available in Databank Alias

Name

AQ AQ9

ER(CH3CO2)2+ ER(CH3CO2)3 ER(SO4)2ER+3 ERCH3CO2+2 ERCL+2 ERCL2+ ERCL3-AQ ERCL4ERCO3+ ERF+2 ERF2+ ERF3-AQ ERF4ERH2PO4+2 ERHCO3+2 ERNO3+2 ERO+ ERO2ERO2H EROH+2 ERSO4+

ER(CH3CO2)2+ ERBIUM-TRIACETATE ER(SO4)2ER+3 ERCH3CO2++ ERCL+2 ERCL2+ ERBIUM-CHLORIDE,AQ ERCL4ERCO3+ ERF+2 ERF2+ ERBIUM-FLUORIDE,AQ ERF4ERH2PO4+2 ERHCO3+2 ERNO3+2 ERO+ ERO2ERO2H,AQ EROH+2 ERSO4+

X X X X X X X X X X X X X X X X X X X X X X

X X X X X

X

Available in Databank Alias

Name

AQ AQ9

EU(AC)+2 EU(AC)2+ EU(AC)3 EU(ALA)+ EU(ALA)2 EU(BUT)+ EU(BUT)+2

EUCH3COO+2 EU(CH3COO)2+ EU(CH3COO)3 EU(C3H6NO2)+ EU(C3H6NO2)2 EUCH3(CH2)2CO2+ EUCH3(CH2)2CO2+2

X X X X X X X

Physical Property Data 11.1

Available in Databank

Physical Property Data 11.1

Alias

Name

AQ AQ9

EU(BUT)2 EU(BUT)2+ EU(FOR)+ EU(FOR)+2 EU(FOR)2 EU(FOR)2+ EU(GLY)+ EU(GLY)2 EU(GLYC)+ EU(GLYC)2 EU(LAC)+ EU(LAC)2 EU(PENT)+ EU(PENT)+2 EU(PENT)2+ EU(PROP)+ EU(PROP)+2 EU(PROP)2 EU(PROP)2+ EU(SO4)2EU+2 EU+3 EUCL+ EUCL+2 EUCL2+ EUCL2-AQ EUCL3EUCL3-AQ EUCL4EUCL4-2 EUCO3+ EUF+ EUF+2 EUF2 EUF2+ EUF3EUF3-AQ EUF4EUF4-2 EUH2PO4+2 EUHCO3+2 EUNO3+2 EUO+ EUO2EUO2H

EU(CH3CH2CH2CO2)2 EU(CH3CH2CH2CO2)2+ EUCHO2+ EUCHO2+2 EU(CHO2)2 EU(CHO2)2+ EU(C2H4NO2)+ EU(C2H4NO2)2 EUCH3OCO2+ EU(CH3OCO2)2 EU(CH3CH2OCO2)+ EU(CH3CH2OCO2)2 EUCH3(CH2)3CO2+ EUCH3(CH2)3CO2+2 EU(CH3CH2CH2CH2CO2)2+ EUCH3CH2CO2+ EUCH3CH2CO2+2 EU(CH3CH2CO2)2 EU(CH3CH2CO2)2+ EU(SO4)2EU+2 EU+3 EUCL+ EUCL++ EUCL2+ EUCL2,AQ EUCL3EUROPIUM-CHLORIDE,AQ EUCL4EUCL4-2 EUCO3+ EUF+ EUF+2 EUF2,AQ EUF2+ EUF3EUROPIUM-FLUORIDE,AQ EUF4EUF4-2 EUH2PO4+2 EUHCO3+2 EUNO3+2 EUO+ EUO2EUO2H,AQ

X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X

X X X X

Databanks • 1-83

Available in Databank

Aqueous Component Databanks: Fe

1-84 • Databanks

Alias

Name

AQ AQ9

EUOH+2 EUSO4+

EUOH+2 EUSO4+

X X

X

Available in Databank Alias

Name

AQ AQ9

FE(ALA)+ FE(ALA)2 FE(BUT)+ FE(BUT)2 FE(CH3COO)+ FE(CH3COO)2 FE(CN)6-3 FE(CN)6-4 FE(FOR)+ FE(FOR)2 FE(GLY)+ FE(GLY)2 FE(GLYC)+ FE(GLYC)2 FE(LAC)+ FE(LAC)2 FE(OH)2+ FE(OH)3 FE(OH)3FE(OH)4-2 FE(PENT)+ FE(PENT)2 FE(PROP)+ FE(PROP)2 FE(SO4)2FE+2 FE+3 FE2(OH)2+4 FEBR+2 FECL+ FECL+2 FECL2 FECL2+ FECL3 FECLO4+2 FEF+2 FEF2+ FEHPO4+ FEI+2 FEN3+2

FE(C3H6NO2)+ FE(C3H6NO2)2 FECH3(CH2)2CO2+ FE(CH3CH2CH2CO2)2 FE(CH3COO)+ FE(CH3COO)2 FE(CN)6-3 FE(CN)6-4 FECHO2+ FE(CHO2)2 FE(C2H4NO2)+ FE(C2H4NO2)2 FECH3OCO2+ FE(CH3OCO2)2 FECH3CH2OCO2+ FE(CH3CH2OCO2)2 FE(OH)2+ IRON-TRIHYDROXIDE FE(OH)3FE(OH)4-FECH3(CH2)3CO2+ FE(CH3CH2CH2CH2CO2)2 FECH3CH2CO2+ FE(CH3CH2CO2)2 FE(SO4)2FE++ FE+++ FE2(OH)2+4 FEBR++ FECL+ FECL++ FERROUS-CHLORIDE FECL2+ FERRIC-CHLORIDE FECLO4++ FEF++ FEF2+ FEHPO4+ FEI++ FEN3++

X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X

X X

X X X X

X X X X X X X X X X X X X X

Physical Property Data 11.1

Available in Databank

Aqueous Component Databanks: Ga

Aqueous Component Databanks: Gd

Physical Property Data 11.1

Alias

Name

AQ AQ9

FENO+2 FENO3+2 FEO2-2 FEOH+ FEOH+2 FESCN+2 FESO4+

FENO++ FENO3++ FEO2-FEOH+ FEOH++ FESCN++ FESO4+

X X X X X X X

X X X X X X X

Available in Databank Alias

Name

AQ AQ9

GA+3 GABR4GAF+2 GAF2+

GA+3 GABR4GAF++ GAF2+

X X X X

X X X X

Available in Databank Alias

Name

AQ AQ9

GD(BUT)+2 GD(BUT)2+ GD(CH3CO2)2+ GD(CH3CO2)3 GD(FOR)+2 GD(FOR)2+ GD(PENT)+2 GD(PENT)2+ GD(PROP)+2 GD(PROP)2+ GD(SO4)2GD+3 GDCH3CO2+2 GDCL+2 GDCL2+ GDCL3-AQ GDCL4GDCO3+ GDF+2 GDF2+ GDF3-AQ GDF4GDH2PO4+2 GDHCO3+2 GDNO3+2 GDO+ GDO2GDO2H

GDCH3(CH2)2CO2+2 GD(CH3CH2CH2CO2)2+ GD(CH3CO2)2+ GADOLINIUM-TRIACETATE GDCHO2+2 GD(CHO2)2+ GDCH3(CH2)3CO2+2 GD(CH3CH2CH2CH2CO2)2+ GDCH3CH2CO2+2 GD(CH3CH2CO2)2+ GD(SO4)2GD+3 GDCH3CO2++ GDCL+2 GDCL2+ GADOLINIUM-CHLORIDE,AQ GDCL4GDCO3+ GDF+2 GDF2+ GADOLINIUM-FLUORIDE,AQ GDF4GDH2PO4+2 GDHCO3+2 GDNO3+2 GDO+ GDO2GDO2H,AQ

X X X X X X X X X X X X X X X X X X X X X X X X X X X X

X X

X X X

Databanks • 1-85

Available in Databank

Aqueous Component Databanks: Ge

Aqueous Component Databanks: H

1-86 • Databanks

Alias

Name

AQ AQ9

GDOH+2 GDSO4+

GDOH+2 GDSO4+

X X

X

Available in Databank Alias

Name

AQ AQ9

GE(OH)2+2 GE(OH)3+ GE(OH)4 GE(OH)5GE(OH)6-2 GE+2 GE+4 GEF4OHGEF5GEF6-2 GEOH+3

GE(OH)2++ GE(OH)3+ GERMANIUM-TETRAHYDROXIDE GE(OH)5GE(OH)6-GE++ GE+4 GEF4OHGEF5GEF6-GE(OH)+++

X X X X X X X X X X X

X X X X X X X X X X X

Available in Databank Alias

Name

AQ AQ9

H+ H2 H2+ H2ASO3H2ASO4H2AUO3H2B4O7 H2CO3 H2FE(CN)6-2 H2O2 H2OI+ H2P2O7-2 H2PBO2 H2PO3F H2PO4H2S H2S2O4 H2S2O8 H2SE H2SEO3 H2SIO3 H2SIO4-2 H2SO3 H2SO4 H2TEO3 H2VO4-

H+ HYDROGEN H2+ H2ASO3H2ASO4H2AUO3HYDROGEN-TETRABORATE CARBONIC-ACID H2FE(CN)6-HYDROGEN-PEROXIDE H2OI+ H2P2O7-H2PBO2 H2PO3F H2PO4HYDROGEN-SULFIDE H2S2O4 HYDROGEN-PEROXODISULFIDE HYDROGEN-SELENIDE SELENIOUS-ACID METASILICIC-ACID H2SIO4-SULFUROUS-ACID SULFURIC-ACID TELLURIC-ACID H2VO4-

X X X X X X X X X X X X X X X X X X X X X X X X X X

X X X X X X X X X X X X X X X X X X X X X X X X X X

Physical Property Data 11.1

Available in Databank

Physical Property Data 11.1

Alias

Name

AQ AQ9

H2WO4 H3ASO3 H3ASO4 H3BO3 H3N H3O+ H3P2O7H3PO4 H3SIO4H4BO5H4N2 H4P2O7 H4SIO4 H7(WO4)6-5 H7SIO6H8SIO6 H9B2O10HALO2 HASO2 HASO3FHASO4-2 HAUO3-2 HB4O7HBR HBRI2 HBRO HBRO3 HC2O4HCL HCLO HCLO2 HCLO3 HCLO4 HCO3HCOONH4 HCRO4HCUO2HF HF2HFE(CN)6-3 HFEO2HHGO2HI HIO HIO3

TUNGSTIC-ACID H3ASO3 ARSENIC-ACID HYDROGEN-ORTHOBORATE AMMONIA H3O+ H3P2O7ORTHOPHOSPHORIC-ACID H3SIO4H2BO3.H2O2HYDRAZINE PYROPHOSPHORIC-ACID H4SIO4 H7(WO4)6-5 HSI(OH)6H2(SI(OH)6) H2BO3.H3BO3.(H2O2)2HALO2 ARSENOUS-ACID HASO3FHASO4-HAUO3-HB4O7HYDROGEN-BROMIDE HBRI2 HYDROGEN-HYPOBROMITE HYDROGEN-BROMATE HC2O4HYDROGEN-CHLORIDE HYPOCHLOROUS-ACID CHLOROUS-ACID CHLORIC-ACID PERCHLORIC-ACID HCO3AMMONIUM-FORMATE HCRO4HCUO2HYDROGEN-FLUORIDE HF2HFE(CN)6-3 HFEO2HHGO2HYDROGEN-IODIDE HIO IODIC-ACID

X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X

X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X

Databanks • 1-87

Available in Databank

Aqueous Component Databanks: Hg

1-88 • Databanks

Alias

Name

AQ AQ9

HN3 HNBO3 HNO2 HNO2-1 HNO2-2 HNO3 HOCN HP2O7-3 HPBO2HPO3FHPO4-2 HSHS2O4HSBO2 HSCN HSEHSEO3HSEO4HSIO3HSO3HSO4HSO5HTAO3 HVO4-2 HWO4HZNO2-

HYDROGEN-AZIDE HNBO3 NITROUS-ACID NITROUS-ACID(CIS) NITROUS-ACID(TRANS) NITRIC-ACID HYDROGEN-CYANATE HP2O7--HPBO2HPO3FHPO4-HSHS2O4HSBO2 HYDROGEN-THIOCYANATE HSEHSEO3HSEO4HSIO3HSO3HSO4HSO5HTAO3 HVO4-HWO4HZNO2-

X X X X X X X X X X X X X X X X X X X X X X X X X X

X X X X X X X X X X X X X X X X X X X X X X X X

Available in Databank Alias

Name

AQ AQ9

HG HG(AC)3HG(C2H4NO2)2 HG(C2O4)2-2 HG(CH5N)2+2 HG(CN)2 HG(CN)2CLHG(CN)3HG(CN)3BR-2 HG(CN)3CL-2 HG(CN)4-2 HG(HS)2 HG(NH3)2+2 HG(NH3)3+2 HG(NH3)4+2 HG(OH)2

MERCURY HG(CH3COO)3HG(NH2CH2COO)2 HG(C2O4)2-HG(CH3NH2)2++ MERCURY-DICYANIDE HG(CN)2CLHG(CN)3HG(CN)3BR-HG(CN)3CL-HG(CN)4-HG(HS)2 HG(NH3)2++ HG(NH3)3++ HG(NH3)4++ MERCURY-DIHYDROXIDE

X X X X X X X X X X X X X X X X

X X X X X X X X X X X X X X X

Physical Property Data 11.1

Available in Databank

Aqueous Component Databanks: Ho

Physical Property Data 11.1

Alias

Name

AQ AQ9

HG(SCN)2 HG(SCN)3HG(SCN)4-2 HG(SCN)BR HG(SCN)CL HG+2 HG2+2 HG2HC2O5HG2HP2O8-2 HG2HP2O8-3 HG2P2O7-2 HGBR+ HGBR2 HGBR3HGBR4-2 HGBRCL HGC2H4NO2+ HGC4H6O4 HGCH3COO+ HGCH5N+2 HGCL+ HGCL2 HGCL3HGCL4-2 HGCLC2H4NO2 HGCN+ HGF+ HGI+ HGI2 HGI2BR2-2 HGI3HGI3BR-2 HGI4-2 HGIBR HGIBR3-2 HGICL HGOH+ HGS2-2 HGSC4N4-2 HGSO4

MERCURY-THIOCYANATE HG(CNS)3HG(CNS)4-2 HG(CNS)BR HG(CNS)CL HG++ HG2++ HG2(OH)C2O4HG2(OH)P2O7-HG2(OH)P2O7--HG2P2O7-HGBR+ MERCURY-DIBROMIDE HGBR3HGBR4-HGCLBR HG(NH2CH2COO)+ HG(CH3COO)2 HGCH3COO+ HG(CH3NH2)++ HGCL+ MERCURY-DICHLORIDE HGCL3HGCL4-HGCL(NH2CH2COO) HGCN+ HGF+ HGI+ MERCURY-DIIODIDE HGBR2I2-HGI3HGBRI3-HGI4-HGBRI HGIBR3-HGCLI HGOH+ HGS2-HG(CNS)(CN)3-MERCURY-SULFATE

X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X

X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X

Available in Databank Alias

Name

AQ AQ9

HO(CH3CO2)2+ HO(CH3CO2)3

HO(CH3CO2)2+ HOLMIUM-TRIACETATE

X X

X X

Databanks • 1-89

Available in Databank

Aqueous Component Databanks: I

Aqueous Component Databanks: In

1-90 • Databanks

Alias

Name

AQ AQ9

HO(SO4)2HO+3 HOCH3CO2+2 HOCL+2 HOCL2+ HOCL3-AQ HOCL4HOCO3+ HOF+2 HOF2+ HOF3-AQ HOF4HOH2PO4+2 HOHCO3+2 HONO3+2 HOO+ HOO2HOO2H HOOH+2 HOSO4+

HO(SO4)2HO+3 HOCH3CO2++ HOCL+2 HOCL2+ HOLMIUM-CHLORIDE,AQ HOCL4HOCO3+ HOF+2 HOF2+ HOLMIUM-FLUORIDE,AQ HOF4HOH2PO4+2 HOHCO3+2 HONO3+2 HOO+ HOO2HOO2H,AQ HOOH+2 HOSO4+

X X X X X X X X X X X X X X X X X X X X

X X X

X

Available in Databank Alias

Name

AQ AQ9

I(CN)2II2 I2CLI2CNI2O-2 I2OHI3IBR IBR2IBRCLICL ICL2IOIO3IO4-

I(CN)2IIODINE I2CLI2CNI2O-I2OHI3IODINE-BROMIDE IBR2IBRCLIODINE-CHLORIDE ICL2IOIO3IO4-

X X X X X X X X X X X X X X X X

X X X X X X X X X X X X X X X X

Available in Databank Alias

Name

AQ AQ9

IN(C2O4)2IN(OH)2+ IN(SCN)2+

IN(C2O4)2IN(OH)2+ IN(CNS)2+

X X X

X X X

Physical Property Data 11.1

Available in Databank

Aqueous Component Databanks: K

Aqueous Component Databanks: La

Physical Property Data 11.1

Alias

Name

AQ AQ9

IN(SCN)3 IN+ IN+2 IN+3 INC2O4+ INOH+2 INSCN+2 INSO4+

INDIUM-THIOCYANATE IN+ IN++ IN+++ INC2O4+ INOH++ INSCN++ INSO4+

X X X X X X X X

X X X X X X X X

Available in Databank Alias

Name

AQ AQ9

K(AC) K(AC)2K(BUT) K(BUT)2K(FOR) K(FOR)2K(GLYC) K(GLYC)2K(LAC) K(LAC)2K(PENT) K(PENT)2K(PROP) K(PROP)2K+ KBR KCL KHSO4 KI KOH KP2O7-3 KS2O8KSO4-

KCH3COO K(CH3COO)2KCH3(CH2)2CO2 K(CH3CH2CH2CO2)2KCHO2 K(CHO2)2KCH3OCO2 K(CH3OCO2)2KCH3CH2OCO2 K(CH3CH2OCO2)2KCH3(CH2)3CO2 K(CH3CH2CH2CH2CO2)2KCH3CH2CO2 K(CH3CH2CO2)2K+ POTASSIUM-BROMIDE POTASSIUM-CHLORIDE KHSO4 POTASSIUM-IODIDE POTASSIUM-HYDROXIDE KP2O7-3 KS2O8KSO4-

X X X X X X X X X X X X X X X X X X X X X X X

X

X X X

Available in Databank Alias

Name

AQ AQ9

LA(BUT)+2 LA(BUT)2+ LA(CH3CO2)2+ LA(CH3CO2)3 LA(FOR)+2 LA(FOR)2+ LA(PENT)+2 LA(PENT)2+

LACH3(CH2)2CO2+2 LA(CH3CH2CH2CO2)2+ LA(CH3CO2)2+ LANTHANUM-TRIACETATE LACHO2+2 LA(CHO2)2+ LACH3(CH2)3CO2+2 LA(CH3CH2CH2CH2CO2)2+

X X X X X X X X

X X

Databanks • 1-91

Available in Databank

Aqueous Component Databanks: Li

Aqueous Component Databanks: Lu

1-92 • Databanks

Alias

Name

AQ AQ9

LA(PROP)+2 LA(PROP)2+ LA(SO4)2LA+3 LACH3CO2+2 LACL+2 LACL2+ LACL3-AQ LACL4LACO3+ LAF+2 LAF2+ LAF3-AQ LAF4LAH2PO4+2 LAHCO3+2 LANO3+2 LAO+ LAO2LAO2H LAOH+2 LASO4+

LACH3CH2CO2+2 LA(CH3CH2CO2)2+ LA(SO4)2LA+3 LACH3CO2++ LACL+2 LACL2+ LANTHANUM-CHLORIDE,AQ LACL4LACO3+ LAF+2 LAF2+ LANTHANUM-FLUORIDE,AQ LAF4LAH2PO4+2 LAHCO3+2 LANO3+2 LAO+ LAO2LAO2H,AQ LAOH+2 LASO4+

X X X X X X X X X X X X X X X X X X X X X X

X X X

X

Available in Databank Alias

Name

AQ AQ9

LI(AC) LI(AC)2LI+ LICL LIHP2O7-2 LIHPO4LINO3 LIOH LIP2O7-3 LISO4-

LICH3COO LI(CH3COO)2LI+ LITHIUM-CHLORIDE LIHP2O7-LIHPO4LITHIUM-NITRATE LITHIUM-HYDROXIDE LIP2O7--LISO4-

X X X X X X X X X X

X X X X X X X

Available in Databank Alias

Name

AQ AQ9

LU(AC)+2 LU(AC)2+ LU(AC)3 LU(SO4)2LU+3 LUCL+2 LUCL2+

LUCH3COO+2 LU(CH3COO)2+ LU(CH3COO)3 LU(SO4)2LU+3 LUCL+2 LUCL2+

X X X X X X X

X X

Physical Property Data 11.1

Available in Databank

Aqueous Component Databanks: Mg

Physical Property Data 11.1

Alias

Name

AQ AQ9

LUCL3-AQ LUCL4LUCO3+ LUF+2 LUF2+ LUF3 LUF4LUH2PO4+2 LUHCO3+2 LUNO3+2 LUO+ LUO2LUO2H LUOH+2 LUSO4+

LUCL3,AQ LUCL4LUCO3+ LUF+2 LUF2+ LUF3,AQ LUF4LUH2PO4+2 LUHCO3+2 LUNO3+2 LUO+ LUO2LUO2H,AQ LUOH+2 LUSO4+

X X X X X X X X X X X X X X X

X

Available in Databank Alias

Name

AQ AQ9

MG(AC)2 MG(ALA)+ MG(ALA)2 MG(BUT)+ MG(BUT)2 MG(C2O4)2-2 MG(FOR)+ MG(FOR)2 MG(GLY)+ MG(GLY)2 MG(GLYC)+ MG(GLYC)2 MG(LAC)+ MG(LAC)2 MG(PENT)+ MG(PENT)2 MG(PROP)+ MG(PROP)2 MG+2 MGCH3CO2+ MGCL+ MGCO3 MGF+ MGHCO3+ MGIO3+ MGOH+ MGP2O7-2

MG(CH3COO)2 MG(C3H6NO2)+ MG(C3H6NO2)2 MGCH3(CH2)2CO2+ MG(CH3CH2CH2CO2)2 MG(C2O4)2-MGCHO2+ MG(CHO2)2 MG(C2H4NO2)+ MG(C2H4NO2)2 MGCH3OCO2+ MG(CH3OCO2)2 MGCH3CH2OCO2+ MG(CH3CH2OCO2)2 MGCH3(CH2)3CO2+1 MG(CH3CH2CH2CH2CO2)2 MGCH3CH2CO2+ MG(CH3CH2CO2)2 MG++ MGCH3CO2+ MGCL+ MAGNESIUM-CARBONATE MGF+ MGHCO3+ MGIO3+ MGOH+ MGP2O7--

X X X X X X X X X X X X X X X X X X X X X X X X X X X

X

X X X X X X X X

Databanks • 1-93

Available in Databank

Aqueous Component Databanks: Mn

Aqueous Component Databanks: N

1-94 • Databanks

Alias

Name

AQ AQ9

MGSO4

MAGNESIUM-SULFATE

X

X

Available in Databank Alias

Name

AQ AQ9

MN(AC)2 MN(AC)3MN(ALA)+ MN(ALA)2 MN(BUT)+ MN(BUT)2 MN(C2O4)2-2 MN(FOR)+ MN(GLY)+ MN(GLY)2 MN(GLYC)+ MN(GLYC)2 MN(LAC)+ MN(LAC)2 MN(OH)3MN(PENT)+ MN(PENT)2 MN(PROP)+ MN(PROP)2 MN(SCN)2 MN+2 MN+3 MNC2H2O4 MNC2O4 MNCH3CO2+ MNCL+ MNCL2 MNCL3MNHCO3+ MNO4MNO4-2 MNOH+ MNSCN+ MNSO4

MN(CH3COO)2 MN(CH3COO)3MN(C3H6NO2)+ MN(C3H6NO2)2 MNCH3(CH2)2CO2+ MN(CH3CH2CH2CO2)2 MN(C2O4)2-MNCHO2+ MN(C2H4NO2)+ MN(C2H4NO2)2 MNCH3OCO2+ MN(CH3OCO2)2 MNCH3CH2OCO2+ MN(CH3CH2OCO2)2 MN(OH)3MNCH3(CH2)3CO2+ MN(CH3CH2CH2CH2CO2)2 MNCH3CH2CO2+ MN(CH3CH2CO2)2 MANGANESE-THIOCYANATE MN++ MN+++ MN(CHO2)2 MANGANESE-OXALATE MNCH3COO+ MNCL+ MANGANESE-DICHLORIDE MNCL3MNHCO3+ MNO4MNO4-MNOH+ MNCNS+ MANGANESE-SULFATE

X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X

X

X

X X X X X X X X X X X X X

Available in Databank Alias

Name

AQ AQ9

N2 N2H5+ N2H5BR N2H5CL

NITROGEN N2H5+ N2H5BR N2H5CL

X X X X

X X X X

Physical Property Data 11.1

Available in Databank

Aqueous Component Databanks: Na

Physical Property Data 11.1

Alias

Name

AQ AQ9

N2H5NO3 N2H5OH N3NH2CH2COONH2CH2COOH NH2COONH3CH2COOH+ NH4(AC) NH4(AC)2NH4+ NH4BR NH4CL NH4CL3 NH4CN NH4CNO NH4F NH4HF2 NH4HO2 NH4HS NH4I NH4N3 NH4NO2 NH4NO3 NH4OH NO2NO3NOCL

N2H5NO3 N2H5OH N3NH2CH2COONH2CH2COOH CARBAMATE NH3CH2COOH+ NH4CH3COO NH4(CH3COO)2NH4+ AMMONIUM-BROMIDE AMMONIUM-CHLORIDE AMMONIUM-TRICHLORIDE AMMONIUM-CYANIDE AMMONIUM-CYANATE AMMONIUM-FLUORIDE AMMONIUM-HYDROGEN-FLUORIDE NH4HO2 AMMONIUM-HYDROGEN-SULFIDE AMMONIUM-IODIDE AMMONIUM-AZIDE AMMONIUM-NITRITE AMMONIUM-NITRATE AMMONIUM-HYDROXIDE NO2NO3NITROSYL-CHLORIDE

X X X X X X X X X X X X X X X X X X X X X X X X X X X

X X X X X X X

X X X X X X X X X X X X X X X X X X

Available in Databank Alias

Name

AQ AQ9

NA(AC) NA(AC)2NA(BUT) NA(BUT)2NA(FOR)2NA(GLYC) NA(GLYC)2NA(LAC) NA(LAC)2NA(PENT) NA(PENT)2NA(PROP) NA(PROP)2NA+ NA2P2O7-2

NACH3COO NA(CH3COO)2NACH3(CH2)2CO2 NA(CH3CH2CH2CO2)2NA(CH02)2NA(CH3OCO2) NA(CH3OCO2)2NACH3CH2OCO2 NA(CH3CH2OCO2)2NACH3(CH2)3CO2 NA(CH3CH2CH2CH2CO2)2NACH3CH2CO2 NA(CH3CH2CO2)2NA+ NA2P2O7--

X X X X X X X X X X X X X X X

X X

Databanks • 1-95

Available in Databank

Aqueous Component Databanks: Nd

Aqueous Component Databanks: Ni

1-96 • Databanks

Alias

Name

AQ AQ9

NAALO2 NABR NACHO2 NACL NACLO NACO3NAF NAHCO3 NAHP2O7-2 NAHSIO3 NAI NAOH NAS2O3NASO4-

SODIUM-ALUMINATE SODIUM-BROMIDE SODIUM-FORMATE SODIUM-CHLORIDE SODIUM-HYPOCHLORITE NACO3SODIUM-FLUORIDE SODIUM-BICARBONATE NAHP2O7-NAHSIO3 SODIUM-IODIDE SODIUM-HYDROXIDE NAS2O3NASO4-

X X X X X X X X X X X X X X

X X X X

X X

Available in Databank Alias

Name

AQ AQ9

ND(CH3CO2)2+ ND(CH3CO2)3 ND(SO4)2ND+3 NDCH3CO2+2 NDCL+2 NDCL2+ NDCL3-AQ NDCL4NDCO3+ NDF+2 NDF2+ NDF3-AQ NDF4NDH2PO4+2 NDHCO3+2 NDNO3+2 NDO+ NDO2NDO2H NDOH+2 NDSO4+

ND(CH3CO2)2+ NEODYMIUM-TRIACETATE ND(SO4)2ND+3 NDCH3CO2++ NDCL+2 NDCL2+ NEODYMIUM-CHLORIDE,AQ NDCL4NDCO3+ NDF+2 NDF2+ NEODYMIUM-FLUORIDE,AQ NDF4NDH2PO4+2 NDHCO3+2 NDNO3+2 NDO+ NDO2NDO2H,AQ NDOH+2 NDSO4+

X X X X X X X X X X X X X X X X X X X X X X

X X X X X

X

Available in Databank Alias

Name

AQ AQ9

NI(AC)+ NI(AC)2 NI(AC)3-

NICH3COO+ NI(CH3COO)2 NI(CH3COO)3-

X X X

Physical Property Data 11.1

Available in Databank

Aqueous Component Databanks: O

Aqueous Component Databanks: P

Physical Property Data 11.1

Alias

Name

AQ AQ9

NI(ALA)+ NI(ALA)2 NI(BUT)+ NI(BUT)2 NI(CH5N)6+2 NI(CN)4-2 NI(FOR)+ NI(FOR)2 NI(GLY)+ NI(GLY)2 NI(GLYC)+ NI(GLYC)2 NI(LAC)+ NI(LAC)2 NI(NH3)2+2 NI(NH3)4+2 NI(NH3)6+2 NI(PENT)+ NI(PENT)2 NI(PROP)+ NI(PROP)2 NI+2 NIC2O4 NICL+ NIOH+ NIP2O7-2 NISCN+ NISO4

NI(C3H6NO2)+ NI(C3H6NO2)2 NICH3(CH2)2CO2+ NI(CH3CH2CH2CO2)2 NI(CH3NH2)6++ NI(CN)4-NICHO2+ NI(CHO2)2 NI(C2H4NO2)+ NI(C2H4NO2)2 NICH3OCO2+ NI(CH3OCO2)2 NICH3CH2OCO2+ NI(CH3CH2OCO2)2 NI(NH3)2++ NI(NH3)4++ NI(NH3)6++ NICH3(CH2)3CO2+ NI(CH3CH2CH2CH2CO2)2 NICH3CH2CO2+ NI(CH3CH2CO2)2 NI++ NICKEL-OXALATE NICL+ NIOH+ NIP2O7-NICNS+ NICKEL-SULFATE

X X X X X X X X X X X X X X X X X X X X X X X X X X X X

X X

X X

X X X X X X

Available in Databank Alias

Name

AQ AQ9

O2 O2HO2S O3 OCNOH-

OXYGEN HO2SULFUR-DIOXIDE OZONE CNOOH-

X X X X X X

X X X X X X

Available in Databank Alias

Name

AQ AQ9

P2O7-4 PH3 PH4+ PH4OH PO3F-2

P2O7---PHOSPHINE PH4+ PH3.H2O PO3F--

X X X X X

X X X X X

Databanks • 1-97

Available in Databank

Aqueous Component Databanks: Pb

1-98 • Databanks

Alias

Name

AQ AQ9

PO4-3

PO4---

X

X

Available in Databank Alias

Name

AQ AQ9

PB(AC)3PB(ALA)+ PB(ALA)2 PB(BUT)+ PB(BUT)2 PB(CH3CO2)+ PB(CH3CO2)2 PB(CLO3)2 PB(GLY)+ PB(GLY)2 PB(GLYC)+ PB(GLYC)2 PB(LAC)+ PB(LAC)2 PB(OH)3PB(PENT)+ PB(PENT)2 PB(PROP)+ PB(PROP)2 PB(SCN)2 PB+2 PB3(OH)4+2 PB4(OH)4+4 PB6(OH)8+4 PBBR+ PBBR2 PBBR3PBBRO3+ PBC2H2O4 PBCL+ PBCL2 PBCL3PBCL4-2 PBCLO3+ PBF+ PBF2 PBHCO2+ PBI+ PBI2 PBI3PBI4-2

PB(CH3COO)3PB(C3H6NO2)+ PB(C3H6NO2)2 PBCH3(CH2)2CO2+ PB(CH3CH2CH2CO2)2 PB(CH3CO2)+ LEAD-DIACETATE PB(CLO3)2 PB(C2H4NO2)+ PB(C2H4NO2)2 PBCH3OCO2+ PB(CH3OCO2)2 PBCH3CH2OCO2+ PB(CH3CH2OCO2)2 PB(OH)3PBCH3(CH2)3CO2+ PB(CH3CH2CH2CH2CO2)2 PBCH3CH2CO2+ PB(CH3CH2CO2)2 LEAD-THIOCYANATE PB++ PB3(OH)4++ PB4(OH)4+4 PB6(OH)8+4 PBBR+ LEAD-DIBROMIDE PBBR3PBBRO3+ PB(HCO2)2 PBCL+ LEAD-DICHLORIDE PBCL3PBCL4-PBCLO3+ PBF+ LEAD-DIFLUORIDE PBHCO2+ PBI+ LEAD-DIIODIDE PBI3PBI4--

X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X

X X X

X

X X X X X X X X X X X X X X X X X X X X X

Physical Property Data 11.1

Available in Databank

Aqueous Component Databanks: Pd

Aqueous Component Databanks: Pr

Aqueous Component Databanks: Pt

Physical Property Data 11.1

Alias

Name

AQ AQ9

PBNO3+ PBOH+ PBP2O7-2 PBSCN+

PBNO3+ PBOH+ PBP2O7-PBCNS+

X X X X

X X X X

Available in Databank Alias

Name

AQ AQ9

PD+2 PDBR4-2 PDCL+ PDCL3(C2H4)-

PD++ PDBR4-PDCL+ PDCL3(C2H4)-

X X X X

X X X X

Available in Databank Alias

Name

AQ AQ9

PR(CH3CO2)2+ PR(CH3CO2)3 PR(OH)2+ PR(SO4)2PR+3 PRCH3CO2+2 PRCL+2 PRCL2+ PRCL3-AQ PRCL4PRCO3+ PRF+2 PRF2+ PRF3-AQ PRF4PRH2PO4+2 PRHCO3+2 PRMOO4+ PRNO3+2 PRO+ PRO2PRO2H PROH+2 PRSO4+

PR(CH3CO2)2+ PRASEODYMIUM-TRIACETATE PR(OH)2+ PR(SO4)2PR+3 PRCH3CO2++ PRCL++ PRCL2+ PRASEODYMIUM-CHLORIDE,AQ PRCL4PRCO3+ PRF+2 PRF2+ PRASEODYMIUM-FLUORIDE,AQ PRF4PRH2PO4+2 PRHCO3+2 PRMOO4+ PRNO3+2 PRO+ PRO2PRO2H,AQ PROH+2 PRSO4+

X X X X X X X X X X X X X X X X X X X X X X X X

X X X X X X X

X X

X X

Available in Databank Alias

Name

AQ AQ9

PT(NH3)3CL+ PT(NH3)4+2 PT(NH3)CL3PT+2

PT(NH3)3CL+ PT(NH3)4++ PT(NH3)CL3PT++

X X X X

X X X X

Databanks • 1-99

Available in Databank

Aqueous Component Databanks: Rb

Aqueous Component Databanks: S

Aqueous Component Databanks: Sc

1-100 • Databanks

Alias

Name

AQ AQ9

PTBR4-2 PTBR6-2 PTCL4-2 PTCL6-2 PTI6-2

PTBR4-PTBR6-PTCL4-PTCL6-PTI6--

X X X X X

X X X X X

Available in Databank Alias

Name

AQ AQ9

RB(AC) RB(AC)2RB+ RBBR RBCL RBF RBI

RBCH3COO RB(CH3COO)2RB+ RUBIDIUM-BROMIDE RUBIDIUM-CHLORIDE RUBIDIUM-FLUORIDE RUBIDIUM-IODIDE

X X X X X X X

X

Available in Databank Alias

Name

AQ AQ9

S-2 S2-2 S2O3-2 S2O4-2 S2O5-2 S2O6-2 S2O8-2 S3-2 S3O6-2 S4-2 S4O6-2 S5-2 S5O6-2 SF6 SO3-2 SO4-2

S-S2-S2O3-S2O4-S2O5-S2O6-S2O8-S3-S3O6-S4-S4O6-S5-S5O6-SULFUR-HEXAFLUORIDE SO3-SO4--

X X X X X X X X X X X X X X X X

X X X X

X X X X X X X X

Available in Databank Alias

Name

AQ AQ9

SC(AC)+2 SC(AC)2+ SC(AC)3 SC(SEO4)2SC+3 SCBR+2 SCBR2+ SCCL+2

SCCH3COO+2 SC(CH3COO)2+ SC(CH3COO)3 SC(SEO4)2SC+3 SCBR++ SCBR2+ SCCL++

X X X X X X X X

X X X X X

Physical Property Data 11.1

Available in Databank

Aqueous Component Databanks: Sm

Aqueous Component Databanks: Sn

Aqueous Component Databanks: Sr

Physical Property Data 11.1

Alias

Name

AQ AQ9

SCCL2+ SCOH+2 SCSEO4+

SCCL2+ SCOH++ SCSEO4+

X X X

X X X

Available in Databank Alias

Name

AQ AQ9

SM(CH3CO2)2+ SM(CH3CO2)3 SM(SO4)2SM+2 SM+3 SMCH3CO2+2 SMCL+2 SMCL2+ SMCL3-AQ SMCL4SMCO3+ SMF+2 SMF2+ SMF3-AQ SMF4SMH2PO4+2 SMHCO3+2 SMNO3+2 SMO+ SMO2SMO2H SMOH+2 SMSO4+

SM(CH3CO2)2+ SAMARIUM-TRIACETATE SM(SO4)2SM++ SM+3 SMCH3CO2++ SMCL+2 SMCL2+ SAMARIUM-TRICHLORIDE,AQ SMCL4SMCO3+ SMF+2 SMF2+ SMF3,AQ SMF4SMH2PO4+2 SMHCO3+2 SMNO3+2 SMO+ SMO2SMO2H,AQ SMOH+2 SMSO4+

X X X X X X X X X X X X X X X X X X X X X X X

X X X X X

X

Available in Databank Alias

Name

AQ AQ9

SN(SO4)2 SN+2 SNF+ SNOH+ SNOHBR SNOHCL SNOOH+ SNOOHF SNSO4+2

TIN-DISULFATE SN++ SNF+ SNOH+ SNOHBR SNOHCL SNOOH+ SNO(OH)F SNSO4++

X X X X X X X X X

X X X X X X X X X

Available in Databank Alias

Name

AQ AQ9

SR(AC)+

SRCH3COO+

X

Databanks • 1-101

Available in Databank

Aqueous Component Databanks: Tb

1-102 • Databanks

Alias

Name

AQ AQ9

SR(AC)2 SR(ALA)+ SR(ALA)2 SR(BUT)+ SR(BUT)2 SR(FOR)+ SR(FOR)2 SR(GLY)+ SR(GLY)2 SR(GLYC)+ SR(GLYC)2 SR(LAC)+ SR(LAC)2 SR(PENT)+ SR(PENT)2 SR(PROP)+ SR(PROP)2 SR+2 SRCL+ SRCO3 SRF+ SROH+

SR(CH3COO)2 SR(C3H6NO2)+ SR(C3H6NO2)2 SRCH3(CH2)2CO2+ SR(CH3CH2CH2CO2)2 SRCHO2+ SR(CHO2)2 SR(C2H4NO2)+ SR(C2H4NO2)2 SRCH3OCO2+ SR(CH3OCO2)2 SRCH3CH2OCO2+ SR(CH3CH2OCO2)2 SRCH3(CH2)3CO2+ SR(CH3CH2CH2CH2CO2)2 SRCH3CH2CO2+ SR(CH3CH2CO2)2 SR++ SRCL+ STRONTIUM-CARBONATE SRF+ SR(OH)+

X X X X X X X X X X X X X X X X X X X X X X

X

X

Available in Databank Alias

Name

AQ AQ9

TB(AC)+2 TB(AC)2+ TB(AC)3 TB(SO4)2TB+3 TBCL+2 TBCL2+ TBCL3-AQ TBCL4TBCO3+ TBF+2 TBF2+ TBF3 TBF4TBH2PO4+2 TBHCO3+2 TBNO3+2 TBO+ TBO2TBO2H

TBCH3COO+2 TB(CH3COO)2+ TB(CH3COO)3 TB(SO4)2TB+3 TBCL+2 TBCL2+ TERBIUM-TRICHLORIDE,AQ TBCL4TBCO3+ TBF+2 TBF2+ TBF3,AQ TBF4TBH2PO4+2 TBHCO3+2 TBNO3+2 TBO+ TBO2TBO2H,AQ

X X X X X X X X X X X X X X X X X X X X

X X

Physical Property Data 11.1

Available in Databank

Aqueous Component Databanks: Th

Aqueous Component Databanks: Tl

Physical Property Data 11.1

Alias

Name

AQ AQ9

TBOH+2 TBSO4+

TBOH+2 TBSO4+

X X

X

Available in Databank Alias

Name

AQ AQ9

TH(BRO3)2+2 TH(C2O4)3-2 TH(H2PO4)2+2 TH(IO3)2+2 TH(IO3)3+ TH(NO3)2+2 TH(OH)2+2 TH(SCN)2+2 TH(SCN)3+ TH(SCN)4 TH(SO4)3-2 TH(SO4)4-4 TH+4 TH2(OH)2+6 THBRO3+3 THC2O4+2 THCH3COO+3 THCL+3 THCL2+2 THCL3+ THCLO3+ THF+3 THF2+2 THF3+ THF4 THH2PO4+3 THIO3+3 THNO3+3 THOH+3 THSCN+3 THSO4+2

TH(BRO3)2++ TH(C2O4)3-2 TH(H2PO4)2+2 TH(IO3)2++ TH(IO3)3+ TH(NO3)2+2 TH(OH)2++ TH(SCN)2++ TH(SCN)3+ TH(SCN)4 TH(SO4)3-TH(SO4)4-4 TH+4 TH2(OH)2+6 THBRO3+3 THC2O4++ THCH3COO+3 THCL+3 THCL2++ THCL3+ THCLO3+ THF+3 THF2++ THF3+ THORIUM-TETRAFLUORIDE THH2PO4+3 THIO3+3 THNO3+3 THOH+3 THSCN+3 THSO4++

X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X

X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X

Available in Databank Alias

Name

AQ AQ9

TL(AC) TL(AC)2TL(CN)4TL(OH)2+ TL+ TL+3

TLCH3COO TL(CH3COO)2TL(CN)4TL(OH)2+ TL+ TL+++

X X X X X X

X X X X

Databanks • 1-103

Available in Databank

Aqueous Component Databanks: Tm

1-104 • Databanks

Alias

Name

AQ AQ9

TLBR+ TLBR+2 TLBR2+ TLBR2TLBR3 TLBR4TLBRCLTLCL TLCL+2 TLCL2+ TLCL2TLCL3 TLCL4TLCLO3 TLCNS TLF TLI TLI2TLI4TLIBRTLNH3+ TLNO3 TLNO3+2 TLOH TLOH+2 TLSO4-

TLBR+ TLBR++ TLBR2+ TLBR2THALLIUM-TRIBROMIDE TLBR4TLBRCLTHALLIUM-CHLORIDE TLCL++ TLCL2+ TLCL2THALLIUM-TRICHLORIDE TLCL4THALLIUM-CHLORATE THALLIUM-THIOCYANATE THALLIUM-FLUORIDE THALLIUM-IODIDE TLI2TLI4TLIBRTLNH3+ THALLIUM-NITRATE TLNO3++ THALLIUM-HYDROXIDE TLOH++ TLSO4-

X X X X X X X X X X X X X X X X X X X X X X X X X X

X X X X X X X X X X X X X X X X X X X X X X X X X X

Available in Databank Alias

Name

AQ AQ9

TM(AC)+2 TM(AC)2+ TM(AC)3 TM(SO4)2TM+3 TMCL+2 TMCL2+ TMCL3-AQ TMCL4TMCO3+ TMF+2 TMF2+ TMF3-AQ TMF4TMH2PO4+2 TMHCO3+2

TMCH3COO+2 TM(CH3COO)2+ TM(CH3COO)3 TM(SO4)2TM+3 TMCL+2 TMCL2+ THULIUM-TRICHLORIDE,AQ TMCL4TMCO3+ TMF+2 TMF2+ THULIUM-TRIFLUORIDE,AQ TMF4TMH2PO4+2 TMHCO3+2

X X X X X X X X X X X X X X X X

X X

Physical Property Data 11.1

Available in Databank

Aqueous Component Databanks: U

Physical Property Data 11.1

Alias

Name

AQ AQ9

TMNO3+2 TMO+ TMO2TMO2H TMOH+2 TMSO4+

TMNO3+2 TMO+ TMO2TMO2H,AQ TMOH+2 TMSO4+

X X X X X X

X

Available in Databank Alias

Name

AQ AQ9

U(AC)+2 U(AC)2+ U(AC)3 U(BUT)+2 U(BUT)2+ U(CO3)4-4 U(CO3)5-6 U(FOR)+2 U(FOR)2+ U(NO3)2+2 U(OH)4 U(OH)5U(PENT)+2 U(PROP)+2 U(PROP)2+ U(SCN)2+2 U(SO4)2 U+3 U+4 U2CO7(OH)3U3O10H4+2 U3O11H5+ U3O13H7U3O6(CO3)6-6 U4O15H7+ UBR+3 UCL+3 UF+3 UF2+2 UF3+ UF4 UF5UF6-2 UI+3 UNO3+3 (UO2)2OH+3

UCH3COO+2 U(CH3COO)2+ U(CH3COO)3 UCH3(CH2)2CO2+2 U(CH3CH2CH2CO2)2+ U(CO3)4-4 U(CO3)5-6 UCHO2+2 U(CHO2)2+ U(NO3)2++ U(OH)4 U(OH)5UCH3(CH2)3CO2+2 UCH3CH2CO2+2 U(CH3CH2CO2)2+ U(SCN)2++ URANIUM-DISULFATE U+3 U+4 U2CO7(OH)3U3O10H4++ U3O11H5+ U3O13H7U3O6(CO3)6-6 U4O15H7+ UBR+3 UCL+3 UF+3 UF2++ UF3+ URANIUM-TETRAFLUORIDE UF5UF6-UI+3 UNO3+3 (UO2)2OH+3

X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X

X X

X X X

X X X X X X X X X X X X X X X X X X X X X

Databanks • 1-105

Available in Databank

1-106 • Databanks

Alias

Name

AQ AQ9

(UO2OH)2+2 UO2(AC)+ UO2(AC)2 UO2(AC)3UO2(CO3)2-2 UO2(CO3)3-4 UO2(CO3)3-5 UO2(H2PO4)2 UO2(IO3)2 UO2(N3)2 UO2(N3)3UO2(N3)4-2 UO2(OH)2 UO2(OH)3UO2(OH)4-2 UO2(SCN)2 UO2(SCN)3UO2(SO4)2-2 UO2+ UO2+2 UO2BR+ UO2BRO3+ UO2CL+ UO2CL2 UO2CLO3+ UO2CO3 UO2F+ UO2F2 UO2F3UO2F4-2 UO2H2PO4+ UO2H3PO4+2 UO2H5P2O8+ UO2HPO4 UO2IO3+ UO2N3+ UO2NO3+ UO2OH+ UO2PO4UO2S2O3 UO2SCN+ UO2SO3 UO2SO4 UOH+3 USCN+3

(UO2OH)2++ UO2CH3COO+ UO2(CH3COO)2 UO2(CH3COO)3UO2(CO3)2-UO2(CO3)3-4 UO2(CO3)3-5 UO2(H2PO4)2 UO2(IO3)2 UO2(N3)2 UO2(N3)3UO2(N3)4-UO2(OH)2 UO2(OH)3UO2(OH)4-UO2(SCN)2 UO2(SCN)3UO2(SO4)2-UO2+ UO2++ UO2BR+ UO2BRO3+ UO2CL+ URANIUM-DICHLORIDE-DIOXIDE UO2CLO3+ UO2CO3 UO2F+ URANIUM-DIFLUORIDE-DIOXIDE UO2F3UO2F4-UO2H2PO4+ UO2H3PO4++ UO2H5P2O8+ UO2HPO4 UO2IO3+ UO2N3+ UO2NO3+ UO2OH+ UO2PO4UO2S2O3 UO2SCN+ UO2SO3 URANIUM-SULFATE-DIOXIDE UOH+3 USCN+3

X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X

X

X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X

Physical Property Data 11.1

Available in Databank

Aqueous Component Databanks: V

Aqueous Component Databanks: Y

Aqueous Component Databanks: Yb

Physical Property Data 11.1

Alias

Name

AQ AQ9

USO4+2

USO4++

X

X

Available in Databank Alias

Name

AQ AQ9

V+2 V+3 VO+2 VO2+ VO3VOSCN+

V++ V+++ VO++ VO2+ VO3VOSCN+

X X X X X X

X X X X X X

Available in Databank Alias

Name

AQ AQ9

Y(AC)+2 Y(AC)2+ Y(AC)3 Y(C2O4)2Y(C2O4)3-3 Y(SO4)2Y+3 Y2(OH)2+4 YBR+2 YC2O4+ YCL+2 YNO3+2 YOH+2 YSCN+2 YSO4+

YCH3COO+2 Y(CH3COO)2+ Y(CH3COO)3 Y(C2O4)2Y(C2O4)3-3 Y(SO4)2Y+3 Y2(OH)2+4 YBR++ YC2O4+ YCL++ YNO3++ YOH++ YCNS++ YSO4+

X X X X X X X X X X X X X X X

X X X X X X X X X X X X

Available in Databank Alias

Name

AQ AQ9

YB(BUT)+2 YB(BUT)2+ YB(CH3CO2)2+ YB(CH3CO2)3 YB(FOR)+2 YB(FOR)2+ YB(PENT)+2 YB(PENT)2+ YB(PROP)+2 YB(PROP)2+ YB(SO4)2YB+2 YB+3 YBCH3CO2+2

YBCH3(CH2)2CO2+2 YB(CH3CH2CH2CO2)2+ YB(CH3CO2)2+ YTTERBIUM-TRIACETATE YBCHO2+2 YB(CHO2)2+ YBCH3(CH2)3CO2+2 YB(CH3CH2CH2CH2CO2)2+ YBCH3CH2CO2+2 YB(CH3CH2CO2)2+ YB(SO4)2YB++ YB+3 YBCH3CO2++

X X X X X X X X X X X X X X

X X

X X X

Databanks • 1-107

Available in Databank

Aqueous Component Databanks: Zn

1-108 • Databanks

Alias

Name

AQ AQ9

YBCL+2 YBCL2+ YBCL3-AQ YBCL4YBCO3+ YBF+2 YBF2+ YBF3 YBF4YBH2PO4+2 YBHCO3+2 YBNO3+2 YBO+ YBO2YBO2H YBOH+2 YBSO4+

YBCL+2 YBCL2+ YBCL3,AQ YBCL4YBCO3+ YBF+2 YBF2+ YBF3,AQ YBF4YBH2PO4+2 YBHCO3+2 YBNO3+2 YBO+ YBO2YBO2H,AQ YBOH+2 YBSO4+

X X X X X X X X X X X X X X X X X

X

Available in Databank Alias

Name

AQ AQ9

ZN(ALA)+ ZN(ALA)2 ZN(BUT)+ ZN(BUT)2 ZN(C2O4)2-2 ZN(CH3COO)3ZN(CH3COOH)+ ZN(CH3COOH)2 ZN(CHO2)2 ZN(CHO2)3ZN(CHO2)4-2 ZN(CN)4-2 ZN(FOR)+ ZN(GLY)+ ZN(GLY)2 ZN(GLYC)+ ZN(GLYC)2 ZN(LAC)+ ZN(LAC)2 ZN(N2H4)2+2 ZN(N2H4)3+2 ZN(N2H4)4+2 ZN(NH3)2+2 ZN(NH3)3+2 ZN(NH3)4+2

ZN(C3H6NO2)+ ZN(C3H6NO3)2 ZNCH3(CH2)2CO2+ ZN(CH3CH2CH2CO2)2 ZN(C2O4)2-ZN(CH3COO)3ZN(CH3COO)+ ZN(CH3COO)2 ZINC-FORMATE ZN(CHO2)3ZN(CHO2)4-ZN(CN)4-ZNCHO2+ ZN(C2H4NO2)+ ZN(C2H4NO2)2 ZNCH3OCO2+ ZN(CH3OCO2)2 ZNCH3CH2OCO2+ ZN(CH3CH2OCO2)2 ZN(N2H4)2++ ZN(N2H4)3++ ZN(N2H4)4++ ZN(NH3)2++ ZN(NH3)3++ ZN(NH3)4++

X X X X X X X X X X X X X X X X X X X X X X X X X

X

X X X X

X X X X X X

Physical Property Data 11.1

Available in Databank

Aqueous Component Databanks: Zr

Physical Property Data 11.1

Alias

Name

AQ AQ9

ZN(OH)2 ZN(OH)3ZN(OH)4-2 ZN(OH)CL ZN(PENT)+ ZN(PENT)2 ZN(PROP)+ ZN(PROP)2 ZN(SCN)2 ZN(SCN)4-2 ZN+2 ZNBR+ ZNBR2 ZNBR3ZNC2O4 ZNCL+ ZNCL2 ZNCL3ZNCL4-2 ZNCLO4+ ZNF+ ZNI+ ZNI2 ZNI3ZNI4-2 ZNN2H4+2 ZNN3+ ZNN6 ZNNH3+2 ZNO2-2 ZNOH+ ZNSO4

ZINC-HYDROXIDE ZN(OH)3ZN(OH)4-ZN(OH)CL ZNCH3(CH2)3CO2+ ZN(CH3CH2CH2CH2CO2)2 ZNCH3CH2CO2+ ZN(CH3CH2CO2)2 ZINC-THIOCYANATE ZN(CNS)4-ZN++ ZNBR+ ZINC-BROMIDE ZNBR3ZINC-OXALATE ZNCL+ ZINC-CHLORIDE ZNCL3ZNCL4-ZNCLO4+ ZNF+ ZNI+ ZINC-IODIDE ZNI3ZNI4-ZNN2H4++ ZNN3+ ZINC-AZIDE ZNNH3++ ZNO2-ZNOH+ ZINC-SULFATE

X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X

X X X X

X X X X X X X X X X X X X X X X X X X X X X X X

Available in Databank Alias

Name

AQ AQ9

ZR(OH)2+2 ZR(OH)3+ ZR(OH)4 ZR(SO4)2 ZR(SO4)3-2 ZR+4 ZROH+3 ZRSO4+2

ZR(OH)2++ ZR(OH)3+ ZIRCONIUM-TETRAHYDROXIDE ZIRCONIUM-DISULFATE ZR(SO4)3-ZR+4 ZR(OH)+++ ZRSO4++

X X X X X X X X

X X X X X X X X

Databanks • 1-109

Aqueous Component Databanks: Other Elements

1-110 • Databanks

Available in Databank Alias

Name

AQ AQ9

AR ASO+ ASO2ASO3F-2 ASO4-3 BE(AC)+ BE(AC)2 BE+2 BEO2-2 BI(AC)+2 BI(AC)2+ BI(AC)3 FHE-4 KR MOO4-2 NBO2+ NBO3NE OSO4 RA(AC)+ RA(AC)2 RA+2 RERECL6-2 REO4RN RUO4 SB(OH)3 SB2S4-2 SBO+ SBO2SE-2 SEO3-2 SEO4-2 SIF6-2 SIO2 SIO4-4 TAO2+ TAO3TE(OH)3+ WO4-2 XE

ARGON ASO+ ASO2ASO3F-ASO4--BECH3COO+ BE(CH3COO)2 BE++ BEO2-BICH3COO+2 BI(CH3COO)2+ BI(CH3COO)3 FHELIUM-4 KRYPTON MOO4-NBO2+ NBO3NEON OSMIUM-TETROXIDE RACH3COO+ RA(CH3COO)2 RA++ RERECL6-REO4RADON RUTHENIUM-TETROXIDE ANTIMONY-TRIHYDROXIDE SB2S4-SBO+ SBO2SE-SEO3-SEO4-SIF6-SILICON-DIOXIDE SIO4---TAO2+ TAO3TE(OH)3+ WO4-XENON

X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X X

X X X X X

X X

X X X X X X X X

X X X X X X X X X X X X X X X X X X X

Physical Property Data 11.1

Combust Component Databank The COMBUST component databank contains data for these parameters: Parameter Name

Description

CPIG DGFORM DHFORM MW NATOM

Ideal gas heat capacity coefficients Standard free energy of formation Standard enthalpy of formation Molecular weight Vector containing numbers of C, H, O, N, S, F, Cl, Br, I, Ar and He atoms

The table below lists the components present in the COMBUST component databank.

Physical Property Data 11.1

Alias

Name

AR BR BR2 C C-2 C-S C2H2 C2H4 C2N2 C3O2 CCL4 CH CH2 CH2CL2 CH2O CH3 CH3CL CH4 CHCL3 CHN CHO CL CL2 CN CNO CO CO2 COS CS2

ARGON BROMINE-MONATOMIC-GAS BROMINE CARBON-GRAPHITE CARBON-DIATOMIC-GAS CARBON-MONOSULFIDE-GAS ACETYLENE ETHYLENE CYANOGEN CARBON-SUBOXIDE CARBON-TETRACHLORIDE METHYLIDYNE-GAS METHYLENE-GAS DICHLOROMETHANE FORMALDEHYDE METHYL-GAS METHYL-CHLORIDE METHANE CHLOROFORM HYDROGEN-CYANIDE FORMYL-GAS CHLORINE-MONATOMIC-GAS CHLORINE CYANO-GAS NCO-RADICAL CARBON-MONOXIDE CARBON-DIOXIDE CARBONYL-SULFIDE CARBON-DISULFIDE

Databanks • 1-111

1-112 • Databanks

Alias

Name

F F2 H H2 H2N H2O H2S H3N HBR HCL HE-4 HF HI HNO HO2 HS I I2 N N2 N2O NH NO NO2 O O2 O2S OH S2 SO

FLUORINE-MONATOMIC-GAS FLUORINE HYDROGEN-MONATOMIC-GAS HYDROGEN AMIDOGEN WATER HYDROGEN-SULFIDE AMMONIA HYDROGEN-BROMIDE HYDROGEN-CHLORIDE HELIUM-4 HYDROGEN-FLUORIDE HYDROGEN-IODIDE NITROXYL HYDROPEROXYL HYDROGEN-MONOSULFIDE-GAS IODINE-MONATOMIC-GAS IODINE NITROGEN-MONATOMIC-GAS NITROGEN NITROUS-OXIDE IMIDOGEN-GAS NITRIC-OXIDE NITROGEN-DIOXIDE OXYGEN-MONATOMIC-GAS OXYGEN SULFUR-DIOXIDE HYDROXYL-GAS SULFUR-DIATOMIC-GAS SULFUR-MONOXIDE-GAS

Physical Property Data 11.1

Ethylene Component Databank The ETHYLENE component databank contains data for these parameters: Property

Description

SRKAIJ

Binary interaction parameter for the SRK equation of state model Binary interaction parameter for the SRK equation of state model Acentric factor for the SRK equation of state Critical pressure for the SRK equation of state Critical temperature for the SRK equation of state

SRKBIJ SRKOMG SRKPC SRKTC

The table below lists the components present in the ETHYLENE component databank.

Physical Property Data 11.1

Alias

Name

AR CCL2F2 CH4 CO CO2 C2H2 C2H4 C2H6 C3H4-1 C3H4-2 C3H6-2 C3H7NO C3H8 C4H10-1 C4H10-2 C4H4 C4H6-4 C4H8-1 C4H8-2 C4H8-3 C4H8-5 C5H10-1 C5H10-2 C5H12-1 C5H12-2 C5H6 C5H8 C5H8-1 C5H8-3

ARGON DICHLORODIFLUOROMETHANE METHANE CARBON-MONOXIDE CARBON-DIOXIDE ACETYLENE ETHYLENE ETHANE PROPADIENE METHYL-ACETYLENE PROPYLENE N,N-DIMETHYLFORMAMIDE PROPANE N-BUTANE ISOBUTANE VINYLACETYLENE 1,3-BUTADIENE 1-BUTENE CIS-2-BUTENE TRANS-2-BUTENE ISOBUTYLENE CYCLOPENTANE 1-PENTENE N-PENTANE 2-METHYL-BUTANE CYCLOPENTADIENE CIS-1,3-PENTADIENE CYCLOPENTENE 1-TRANS-3-PENTADIENE

Databanks • 1-113

1-114 • Databanks

Alias

Name

C5H8-4 C5H8-6 C6H10-2 C6H12-1 C6H12-3 C6H14-1 C6H14-5 C6H6 C7H14-6 C7H14-7 C7H16-1 C7H16-2 C7H8 C8H10-2 C8H10-4 C8H16-1 C8H16-16 C8H18-1 C8H18-2 C8H8 C9H10 C9H12-5 C9H18-1 C9H18-3 C9H20-1 C9H20-D1 C9H8 C10H14-9 C10H20-1 C10H20-5 C10H22-1 C10H8 C11H10-1 C11H22-2 C11H24 C12H18-D2 C12H24-2 C12H26 C13H10 C13H26-2 C13H28 C14H10-1 C14H28-2 C14H30 C15H24 C15H32 C16H12

1,4-PENTADIENE 2-METHYL-1,3-BUTADIENE CYCLOHEXENE CYCLOHEXANE 1-HEXENE N-HEXANE 2,3-DIMETHYL-BUTANE BENZENE METHYLCYCLOHEXANE 1-HEPTENE N-HEPTANE 2-METHYLHEXANE TOLUENE M-XYLENE ETHYLBENZENE 1,1-DIMETHYLCYCLOHEXANE 1-OCTENE N-OCTANE 2-METHYLHEPTANE STYRENE ALPHA-METHYL-STYRENE 1-METHYL-4-ETHYLBENZENE N-PROPYLCYCLOHEXANE 1-NONENE N-NONANE 2-METHYLOCTANE INDENE 1,2,4,5-TETRAMETHYLBENZENE N-BUTYLCYCLOHEXANE 1-DECENE N-DECANE NAPHTHALENE 1-METHYLNAPHTHALENE 1-UNDECENE N-UNDECANE P-DIISOPROPYLBENZENE 1-DODECENE N-DODECANE FLUORENE 1-TRIDECENE N-TRIDECANE ANTHRACENE 1-TETRADECENE N-TETRADECANE N-NONYLBENZENE N-PENTADECANE 1-PHENYLNAPHTHALENE

Physical Property Data 11.1

Alias

Name

C18H12 C20H16 C26H20 H2 H2O H2S N2 O2 O2S

CHRYSENE TRIPHENYLETHYLENE TETRAPHENYLETHYLENE HYDROGEN WATER HYDROGEN-SULFIDE NITROGEN OXYGEN SULFUR-DIOXIDE

SRKAIJ and SRKBIJ are used to compute the interaction parameter using this equation: k ij = aij + bij T

Where:

Physical Property Data 11.1

k ij

= Binary interaction parameter

aij

= SRKAIJ

bij

= SRKBIJ

T

= Temperature

Databanks • 1-115

Inorganic Component Databank The tables below list the components present in the INORGANIC component databank. Components beginning with:

INORGANIC Component Databank Parameters

Ag

Al

As

Au

B

Ba

Be

Bi

C

Ca

Cd

Ce

Cl

Co

Cr

Cs

Cu

Dy

Er

Eu

Fe

Ga

Gd

Ge

H

Hf

Hg

Ho

In

Ir

K

La

Li

Mg

Mn

Mo

N

Na

Nb

Nd

Ni

Np

O

Os

P

Pb

Pd

Pr

Pt

Pu

Rb

Re

Rh

Ru

S

Sb

Sc

Se

Si

Sm

Sn

Sr

Ta

Tb

Te

Th

Ti

Tl

Tm

U

V

W

Y

Yb

Zn

Zr

Other Elements

Parameter Name

Description

ATOMNO

Vector containing the atom types (atomic numbers) for a given molecule (e.g., H=1, C=6, O=8). Must use the vector NOATOM to define the number of occurrences of each atom. Ideal gas property parameters range 1 Ideal gas property parameters range 2 Ideal gas property parameters range 3 Liquid property parameters range 1 Liquid property parameters range 2 Solid property parameters range 1 Solid property parameters range 2 Solid property parameters range 3 Solid property parameters range 4 Solid property parameters range 5 Solid property parameters range 6 Solid property parameters range 7 Molecular weight Vector containing the number of occurrences of each atom defined in ATOMNO for a given molecule. ATOMNO and NOATOM define the chemical formula of the molecule. Normal boiling temperature Normal freezing temperature Molar volume parameters of solid

CPIXP1 CPIXP2 CPIXP3 CPLXP1 CPLXP2 CPSXP1 CPSXP2 CPSXP3 CPSXP4 CPSXP5 CPSXP6 CPSXP7 MW NOATOM

TB TFP VSPOLY

1-116 • Databanks

Physical Property Data 11.1

The properties enthalpy, entropy, Gibbs free energy and heat capacity can be calculated from the ideal gas, liquid, and solid parameters with names beginning with CP. ATOMNO and NOATOM together form the chemical formula of the compound. They are used to calculate molecular weight and are used in RGIBBS. INORGANIC Component Databank: Ag

Physical Property Data 11.1

Alias

Name

AG AG2CO3 AG2CRO4 AG2O AG2S AG2S:A AG2S:B AG2S:C AG2SE AG2SE:A AG2SE:B AG2SE:C AG2SO4 AG2SO4:A AG2SO4:B AG2TE AG2TE:A AG2TE:B AG2WO4 AG3ASO4 AGBR AGBRO3 AGCL AGCLO3 AGCN AGF AGI AGI:A AGI:B AGNO3 AGNO3:A AGNO3:B AGP2 AGP3

SILVER SILVER-CARBONATE SILVER-CHROMATE SILVER-OXIDE SILVER-SULFIDE SILVER-SULFIDE:SOL-A SILVER-SULFIDE:SOL-B SILVER-SULFIDE:SOL-C SILVER-SELENIDE SILVER-SELENIDE:SOL-A SILVER-SELENIDE:SOL-B SILVER-SELENIDE:SOL-C SILVER-SULFATE SILVER-SULFATE:SOL-A SILVER-SULFATE:SOL-B SILVER-TELLURIDE SILVER-TELLURIDE:SOL-A SILVER-TELLURIDE:SOL-B SILVER-TUNGSTATE SILVER-ARSENATE SILVER-BROMIDE SILVER-BROMATE SILVER-CHLORIDE SILVER-CHLORATE SILVER-CYANIDE SILVER-FLUORIDE SILVER-IODIDE SILVER-IODIDE:SOL-A SILVER-IODIDE:SOL-B SILVER-NITRATE SILVER-NITRATE:SOL-A SILVER-NITRATE:SOL-B SILVER-DIPHOSPHIDE SILVER-TRIPHOSPHIDE

Databanks • 1-117

INORGANIC Component Databank: Al

1-118 • Databanks

Alias

Name

AL AL(OH)3-A AL18B4O33 AL2(SO4)3 AL2BR6 AL2CA AL2CE AL2CL6 AL2F6 AL2I6 AL2LA AL2O AL2O2 AL2O3 AL2O3*3H2O AL2O3*H2O AL2O3*H2O-B AL2O3-C AL2O3-D AL2O3-K AL2S3 AL2SE2 AL2SE3 AL2SIO5 AL2SIO5-A AL2SIO5-S AL2TE3 AL2TIO5 AL2U AL3NI AL3NI2 AL3TH AL3TI AL3U AL4B2O9 AL4C3 AL4CA AL4CE AL4MG2SI5O18 AL4U AL5CO2 AL6SI2O13 ALAS ALASO4 ALB12 ALB2 ALBR

ALUMINIUM ALUMINIUM-HYDROXIDE-AMORPHOUS 18-ALUMINIUM-4-BORON-33-OXIDE ALUMINIUM-SULFATE DIALUMINIUM-HEXABROMIDE-GAS 2-ALUMINIUM-CALCIUM 2-ALUMINIUM-CERIUM DIALUMINIUM-HEXACHLORIDE-GAS DIALUMINIUM-HEXAFLUORIDE-GAS DIALUMINIUM-HEXAIODIDE-GAS 2-ALUMINIUM-LANTHANUM DIALUMINIUM-OXIDE-GAS DIALUMINIUM-DIOXIDE-GAS ALUMINIUM-OXIDE-ALPHA-CORUNDUM GIBBSITE DIASPORE BOEHMITE ALUMINIUM-OXIDE-GAMMA ALUMINIUM-OXIDE-DELTA ALUMINIUM-OXIDE-KAPPA ALUMINIUM-SULFIDE DIALUMINIUM-DISELENIDE-GAS ALUMINIUM-SELENIDE ALUMINIUM-SILICATE-KYANITE ALUMINIUM-SILICATE-ANDALUSITE ALUMINIUM-SILICATE-SILLIMANITE ALUMINIUM-TELLURIDE DIALUMINIUM-TITANIUM-PENTAOXIDE 2-ALUMINIUM-URANIUM 3-ALUMINIUM-NICKEL 3-ALUMINIUM-2-NICKEL 3-ALUMINIUM-THORIUM 3-ALUMINIUM-TITANIUM 3-ALUMINIUM-URANIUM 4-ALUMINIUM-2-BORON-9-OXIDE TETRAALUMINIUM-TRICARBIDE 4-ALUMINIUM-CALCIUM 4-ALUMINIUM-CERIUM CORDIERITE 4-ALUMINIUM-URANIUM 5-ALUMINIUM-2-COBALT MULLITE ALUMINIUM-ARSENIDE ALUMINIUM-ARSENATE ALUMINIUM-DODECABORIDE ALUMINIUM-DIBORIDE ALUMINIUM-MONOBROMIDE-GAS

Physical Property Data 11.1

INORGANIC Component Databank: As

Physical Property Data 11.1

Alias

Name

ALBR3 ALCL ALCL2 ALCL3 ALCL3*6H2O ALCO ALF ALF2 ALF3 ALF3:A ALF3:B ALH3 ALI3 ALLI ALN ALNI ALNI3 ALO ALO(OH) ALO2 ALOCL ALOF ALOF2 ALP ALPO4 ALPO4:A ALPO4:B ALPO4:C ALS ALSB ALTE ALTI

ALUMINIUM-BROMIDE ALUMINIUM-MONOCHLORIDE-GAS ALUMINIUM-DICHLORIDE-GAS ALUMINIUM-CHLORIDE ALUMINIUM-CHLORIDE-HEXAHYDRATE ALUMINIUM-COBALT ALUMINIUM-MONOFLUORIDE-GAS ALUMINIUM-DIFLUORIDE-GAS ALUMINIUM-FLUORIDE ALUMINIUM-FLUORIDE:SOL-A ALUMINIUM-FLUORIDE:SOL-B ALUMINIUM-HYDRIDE-HEXAGONAL ALUMINIUM-IODIDE ALUMINIUM-LITHIUM ALUMINIUM-NITRIDE ALUMINIUM-NICKEL ALUMINIUM-3-NICKEL ALUMINIUM-MONOXIDE-GAS BOEHMITE-ALO(OH) ALUMINIUM-DIOXIDE-GAS ALUMINIUM-CHLORIDE-OXIDE ALUMINIUM-FLUORIDE-OXIDE-GAS ALUMINIUM-DIFLUORIDE-OXIDE-GAS ALUMINIUM-PHOSPHIDE ALUMINIUM-PHOSPHATE ALUMINIUM-PHOSPHATE:SOL-A ALUMINIUM-PHOSPHATE:SOL-B ALUMINIUM-PHOSPHATE:SOL-C ALUMINIUM-MONOSULFIDE-GAS ALUMINIUM-ANTIMONY ALUMINIUM-MONOTELLURIDE-GAS ALUMINIUM-TITANIUM

Alias

Name

AS AS-2 AS-3 AS-4 AS2O3-A AS2O3-C AS2O5 AS2S2 AS2S3 AS2S3:1 AS2S3:2 AS2SE3 AS2TE3

ARSENIC ARSENIC-DIATOMIC ARSENIC-TRIATOMIC ARSENIC-4-ATOMIC ARSENIC-OXIDE-ARSENOLITE ARSENIC-OXIDE-CLAUDETITE DIARSENIC-PENTAOXIDE DIARSENIC-DISULFIDE ARSENIC-SULFIDE ARSENIC-SULFIDE:SOL-1 ARSENIC-SULFIDE:SOL-2 ARSENIC-SELENIDE ARSENIC-TELLURIDE

Databanks • 1-119

INORGANIC Component Databank: Au

1-120 • Databanks

Alias

Name

AS4O6 AS4S4 AS4S4-R ASBR3 ASCL3 ASF3 ASF5 ASH3 ASI3 ASO ASS ASSE ASTE

TETRAARSENIC-HEXAOXIDE-GAS TETRAARSENIC-TETRASULFIDE TETRAARSENIC-TETRASULFIDE-REALGA ARSENIC-BROMIDE-GAS ARSENIC-CHLORIDE ARSENIC-FLUORIDE ARSENIC-PENTAFLUORIDE-GAS ARSINE ARSENIC-IODIDE ARSENIC-MONOXIDE-GAS ARSENIC-MONOSULFIDE-GAS ARSENIC-MONOSELENIDE-GAS ARSENIC-MONOTELLURIDE-GAS

Alias

Name

AU AU(OH)3-P AU2O3 AU2P3 AU3ASO4 AUBR AUCD AUCL AUCL3 AUCU AUCU3 AUCU3:11 AUCU3:A AUCU:12 AUCU:22 AUCU:A AUF3 AUI AUS AUSB2 AUSE AUSE-B AUSN AUSN2 AUSN4 AUTE2

GOLD GOLD-TRIHYDROXIDE-PRECIPITATED DIGOLD-TRIOXIDE DIGOLD-TRIPHOSPHIDE TRIGOLD-ARSENATE GOLD-MONOBROMIDE GOLD-CADMIUM GOLD-MONOCHLORIDE GOLD-TRICHLORIDE GOLD-COPPER GOLD-3-COPPER GOLD-3-COPPER:SA-11 GOLD-3-COPPER:SOL-A GOLD-COPPER:SA-12 GOLD-COPPER:SA-22 GOLD-COPPER:SOL-A GOLD-TRIFLUORIDE GOLD-MONOIODIDE GOLD-MONOSULFIDE-GAS GOLD-2-ANTIMONY GOLD-MONOSELENIDE-ALPHA GOLD-MONOSELENIDE-BETA GOLD-TIN GOLD-2-TIN GOLD-4-TIN GOLD-DITELLURIDE

Physical Property Data 11.1

INORGANIC Component Databank: B

Alias

Name

B-B B-GL B-I B-I2 B-I3 B2H6 B2O3 B2O3-GL B2S3 B4C BBR BBR2 BBR3 BCL BCL2 BCL3 BF BF2 BF3 BH BN BOCL BP BS

BORON-BETA BORON-GLASS BORON-MONOIODIDE-GAS BORON-DIIODIDE-GAS BORON-TRIIODIDE-GAS DIBORANE BORON-OXIDE BORON-OXIDE-GLASS DIBORON-TRISULFIDE TETRABORON-MONOCARBIDE BORON-MONOBROMIDE-GAS BORON-DIBROMIDE-GAS BORON-TRIBROMIDE BORON-MONOCHLORIDE-GAS BORON-DICHLORIDE-GAS BORON-TRICHLORIDE BORON-MONOFLUORIDE-GAS BORON-DIFLUORIDE-GAS BORON-TRIFLUORIDE BORON-MONOHYDRIDE-GAS BORON-NITRIDE BORON-CHLORIDE-OXIDE-GAS BORON-MONOPHOSPHIDE BORON-MONOSULFIDE-GAS

INORGANIC Component Databank: Ba

Alias

Name

BA BA(NO3)2 BA(OH)2 BA(OH)2:A BA(OH)2:B BA2SI3O8 BA2SIO4 BA2SN BA2TIO4 BA3(ASO4)2 BA3AL2O6 BA3N2 BAAL2O4 BABR2 BAC2 BACL BACL2 BACL2:1 BACL2:2 BACO3 BACO3:A

BARIUM BARIUM-NITRATE BARIUM-HYDROXIDE BARIUM-HYDROXIDE:SOL-A BARIUM-HYDROXIDE:SOL-B DIBARIUM-TRISILICATE BARIUM-ORTHOSILICATE 2-BARIUM-TIN DIBARIUM-TITANIUM-TETRAOXIDE BARIUM-ARSENATE TRIBARIUM-DIALUMINIUM-HEXAOXIDE TRIBARIUM-DINITRIDE BARIUM-DIALUMINIUM-TETRAOXIDE BARIUM-BROMIDE BARIUM-DICARBIDE BARIUM-MONOCHLORIDE-GAS BARIUM-CHLORIDE BARIUM-CHLORIDE:SOL-1 BARIUM-CHLORIDE:SOL-2 BARIUM-CARBONATE BARIUM-CARBONATE:SOL-A

Physical Property Data 11.1

Databanks • 1-121

INORGANIC Component Databank: Be

Alias

Name

BACO3:B BACO3:C BACRO4 BAF BAF2 BAF2:A BAF2:B BAF2:C BAH BAH2 BAH2:1 BAH2:2 BAHFO3 BAI BAI2 BAMOO4 BAO BAO2 BAS BASI2O5 BASIO3 BASO4 BASO4:1 BASO4:2 BATE BATIO3 BATIO3:1 BATIO3:2 BATIO3:3 BAUO4 BAWO4 BAZRO3

BARIUM-CARBONATE:SOL-B BARIUM-CARBONATE:SOL-C BARIUM-CHROMATE BARIUM-MONOFLUORIDE-GAS BARIUM-FLUORIDE BARIUM-FLUORIDE:SOL-A BARIUM-FLUORIDE:SOL-B BARIUM-FLUORIDE:SOL-C BARIUM-MONOHYDRIDE-GAS BARIUM-HYDRIDE BARIUM-HYDRIDE:SOL-1 BARIUM-HYDRIDE:SOL-2 BARIUM-HAFNIUM-TRIOXIDE BARIUM-MONOIODIDE-GAS BARIUM-IODIDE BARIUM-MOLYBDATE BARIUM-OXIDE BARIUM-PEROXIDE BARIUM-SULFIDE BARIUM-DISILICATE BARIUM-METASILICATE BARIUM-SULFATE BARIUM-SULFATE:SOL-1 BARIUM-SULFATE:SOL-2 BARIUM-TELLURIDE BARIUM-TITANIUM-TRIOXIDE BARIUM-TITANIUM-TRIOXIDE:SOL-1 BARIUM-TITANIUM-TRIOXIDE:SOL-2 BARIUM-TITANIUM-TRIOXIDE:SOL-3 BARIUM-URANATE BARIUM-TUNGSTATE BARIUM-ZIRCONIUM-TRIOXIDE

Alias

Name

BE BE(OH)2 BE(OH)2-B BE2C BE2CL4 BE2SIO4 BE3(ASO4)2 BE3B2O6 BE3N2 BEAL2O4 BEAL6O10

BERYLLIUM BERYLLIUM-HYDROXIDE-ALPHA BERYLLIUM-HYDROXIDE-BETA DIBERYLLIUM-CARBIDE DIBERYLLIUM-TETRACHLORIDE-GAS BERYLLIUM-SILICATE-PHENACITE BERYLLIUM-ARSENATE TRIBERYLLIUM-DIBORATE ALPHA-BERYLLIUM-NITRIDE BERYLLIUM-DIALUMINIUM-TETRAOXIDE BERYLLIUM-HEXAALUMINIUMDECAOXID BERYLLIUM-MONOBROMIDE-GAS

BEBR

1-122 • Databanks

Physical Property Data 11.1

INORGANIC Component Databank: Bi

Physical Property Data 11.1

Alias

Name

BEBR2 BECL BECL2 BECL2:A BECL2:B BEF BEF2 BEF2:2 BEF2:A BEH BEI BEI2 BEO BEO:A BEO:B BEOH BES BESO4 BESO4*2H2O BESO4*4H2O BESO4:A BESO4:B BESO4:C BEWO4

BERYLLIUM-BROMIDE BERYLLIUM-MONOCHLORIDE-GAS BERYLLIUM-CHLORIDE BERYLLIUM-CHLORIDE:SOL-A BERYLLIUM-CHLORIDE:SOL-B BERYLLIUM-MONOFLUORIDE-GAS BERYLLIUM-FLUORIDE BERYLLIUM-FLUORIDE:SOL-2 BERYLLIUM-FLUORIDE:SOL-A BERYLLIUM-MONOHYDRIDE-GAS BERYLLIUM-MONOIODIDE-GAS BERYLLIUM-IODIDE BERYLLIUM-OXIDE BERYLLIUM-OXIDE:SOL-A BERYLLIUM-OXIDE:SOL-B BERYLLIUM-MONOHYDROXIDE-GAS BERYLLIUM-SULFIDE BERYLLIUM-SULFATE BERYLLIUM-SULFATE-DIHYDRATE BERYLLIUM-SULFATE-TETRAHYDRATE BERYLLIUM-SULFATE:SOL-A BERYLLIUM-SULFATE:SOL-B BERYLLIUM-SULFATE:SOL-C BERYLLIUM-TUNGSTATE

Alias

Name

BI BI2 BI2(SO4)3 BI2O3 BI2O3:A BI2O3:B BI2S3 BI2SE3 BI2TE3 BI2U BI4U3 BIASO4 BIBR BIBR3 BIBR3:A BIBR3:B BICL BICL3 BIF BIF3 BII

BISMUTH BISMUTH-DIATOMIC-GAS BISMUTH-SULFATE BISMUTH-OXIDE BISMUTH-OXIDE:SOL-A BISMUTH-OXIDE:SOL-B BISMUTH-SULFIDE BISMUTH-SELENIDE BISMUTH-TELLURIDE 2-BISMUTH-URANIUM 4-BISMUTH-3-URANIUM BISMUTH-ARSENATE BISMUTH-MONOBROMIDE-GAS BISMUTH-BROMIDE BISMUTH-BROMIDE:SOL-A BISMUTH-BROMIDE:SOL-B BISMUTH-MONOCHLORIDE-GAS BISMUTH-CHLORIDE BISMUTH-MONOFLUORIDE-GAS BISMUTH-FLUORIDE BISMUTH-MONOIODIDE

Databanks • 1-123

INORGANIC Component Databank: C

1-124 • Databanks

Alias

Name

BII3 BII:A BII:B BIK3 BIK3:A BIK3:B BIMN BINI BIOCL BIU

BISMUTH-IODIDE BISMUTH-MONOIODIDE:SOL-A BISMUTH-MONOIODIDE:SOL-B BISMUTH-3-POTASSIUM BISMUTH-3-POTASSIUM:SOL-A BISMUTH-3-POTASSIUM:SOL-B BISMUTH-MANGANESE BISMUTH-NICKEL BISMUTH-CHLORIDE-OXIDE BISMUTH-URANIUM

Alias

Name

C C-2 C-3 C-D C-F C-S C2CL4 C2CL6 C2F4 C2F6 C2H2 C2H2O C2H3CL C2H4 C2H4O-1 C2H5CL C2H6 C2N2 C3H4-1 C3H4-2 C3H6-1 C3H6-2 C3H8 C4H10-1 C4H6-1 C4H8-4 C4H8-5 C5H10-1 C5H12-1 C5H8-1 C5H8-2 C6H6O C8H14-D1 C9H16 CBR

CARBON-GRAPHITE CARBON-DIATOMIC-GAS CARBON-TRIATOMIC-GAS CARBON-DIAMOND FLUOROMETHYLIDYNE-GAS CARBON-MONOSULFIDE-GAS TETRACHLOROETHYLENE HEXACHLOROETHANE PERFLUOROETHENE PERFLUOROETHANE ACETYLENE KETENE VINYL-CHLORIDE ETHYLENE ACETALDEHYDE ETHYL-CHLORIDE ETHANE CYANOGEN PROPADIENE METHYL-ACETYLENE CYCLOPROPANE PROPYLENE PROPANE N-BUTANE 1-BUTYNE CYCLOBUTANE ISOBUTYLENE CYCLOPENTANE N-PENTANE CYCLOPENTENE 1,2-PENTADIENE PHENOL 1-OCTYNE NON-1-YNE BROMOMETHYLIDYNE-GAS

Physical Property Data 11.1

INORGANIC Component Databank: Ca

Physical Property Data 11.1

Alias

Name

CBR4 CCL CCL2 CCL2O CCL3 CF2 CF3 CF4 CH CH2 CH2CL2 CH2O CH3 CH3CL CH4 CHCL3 CHN CHO CN CN2 CO CO2 COCL COF COF2-G COS CS2

TETRABROMOMETHANE-GAS CHLOROMETHYLIDYNE-GAS DICHLOROMETHYLENE-GAS PHOSGENE TRICHLOROMETHYL-GAS DIFLUOROMETHYLENE-GAS TRIFLUOROMETHYL-GAS CARBON-TETRAFLUORIDE METHYLIDYNE-GAS METHYLENE-GAS DICHLOROMETHANE FORMALDEHYDE METHYL-GAS METHYL-CHLORIDE METHANE CHLOROFORM HYDROGEN-CYANIDE FORMYL-GAS CYANO-GAS CARBON-NITRIDE-NCN-RADICAL-GAS CARBON-MONOXIDE CARBON-DIOXIDE CARBONYL-CHLORIDE-GAS CARBONYL-FLUORIDE-GAS CARBONIC-DIFLUORIDE-GAS CARBONYL-SULFIDE CARBON-DISULFIDE

Alias

Name

CA CA(NO3)2 CA(OCL)CL CA(OH)2 CA(VO3)2 CA12AL14O33 CA2AL2O5 CA2AL2SIO7 CA2B2O5 CA2B2O5:A CA2B2O5:B CA2FE2O5 CA2MGSI2O7 CA2P2O7 CA2P2O7:A CA2P2O7:B CA2P2O7:C CA2PB

CALCIUM CALCIUM-NITRATE CALCIUM-CHLORIDE-HYPOCHLORITE CALCIUM-HYDROXIDE CALCIUM-METAVANADATE (CAO)12*7AL2O3 (CAO)2*AL2O3 GEHLENITE DICALCIUM-DIBORATE DICALCIUM-DIBORATE:SOL-A DICALCIUM-DIBORATE:SOL-B DICALCIUM-DIIRON-PENTAOXIDE AKERMANITE CALCIUM-PYROPHOSPHATE CALCIUM-PYROPHOSPHATE:SOL-A CALCIUM-PYROPHOSPHATE:SOL-B CALCIUM-PYROPHOSPHATE:SOL-C 2-CALCIUM-LEAD

Databanks • 1-125

1-126 • Databanks

Alias

Name

CA2SI CA2SI3*5:2W CA2SIO4 CA2SIO4*7:6W CA2SIO4-B CA2SIO4:A CA2SIO4:A1 CA2SIO4:C CA2SN CA2V2O7 CA3(ASO4)2 CA3(PO4)2 CA3(VO4)2 CA3AL2O6 CA3AL2O6*6W CA3AL2SI3O12 CA3B2O6 CA3MGSI2O8 CA3N2 CA3P2 CA3PO4-2:1 CA3PO4-2:A CA3PO4-2:B CA3SB2 CA3SI2O7 CA3SI2O7*3W CA3SIO5 CA3TI2O7 CA3WO6 CA4SI3*3:2W CA4TI3O10 CA5SI6*11:2W CA5SI6*21:2W CA5SI6O17*3W CA6SI6O18*W CA:A CA:B CAAL2O4 CAAL2SI2O8 CAAL2SIO6 CAAL4O7 CAB2O4 CAB4O7 CABR CABR2 CAC2 CAC2:A

2-CALCIUM-SILICON 2-CALCIUM-3-SILICATE-5:2-HYDRATE OLIVINE CALCIUM-ORTHOSILICATE-7:6-HYDRAT LARNITE OLIVINE:SOL-A OLIVINE:SOL-A1 OLIVINE:SOL-C 2-CALCIUM-TIN CALCIUM-PYROVANADATE CALCIUM-ARSENATE CALCIUM-PHOSPHATE CALCIUM-ORTHOVANADATE (CAO)3*AL2O3 (CAO)3*AL2O3*6H2O GROSSULAR TRICALCIUM-DIBORATE MERWINITE TRICALCIUM-DINITRIDE TRICALCIUM-DIPHOSPHIDE CALCIUM-PHOSPHATE:SOL-1 CALCIUM-PHOSPHATE:SOL-A CALCIUM-PHOSPHATE:SOL-B 3-CALCIUM-2-ANTIMONY TRICALCIUM-DISILICATE-RANKINITE TRICALCIUM-DISILICATE-TRIHYDRATE TRICALCIUM-SILICATE (CAO)3*2TIO2 CALCIUM-ORTHOTUNGSTATE 4-CALCIUM-3-SILICATE-3:2-HYDRATE 4-CALCIUM-3-TITANIUM-10-OXIDE 5-CALCIUM-6-SILICATE-5.5-HYDRA 5-CALCIUM-6-SILICATE-10.5-HYDR 5-CALCIUM-6-SILICATE-3-HYDRATE 6-CALCIUM-6-SILICATE-HYDRATE CALCIUM:SOL-A CALCIUM:SOL-B CAO*AL2O3 ANORTHITE PYROXENE CAO*2AL2O3 CALCIUM-DIBORATE CALCIUM-TETRABORATE CALCIUM-MONOBROMIDE-GAS CALCIUM-BROMIDE CALCIUM-DICARBIDE CALCIUM-DICARBIDE:SOL-A

Physical Property Data 11.1

Alias

Name

CAC2:B CACL CACL2 CACN2 CACO3 CACO3-A CAF CAF2 CAF2:A CAF2:B CAFE2O4 CAH CAH2 CAH2:A CAH2:B CAHFO3 CAHPO4 CAHPO4*2H2O

CALCIUM-DICARBIDE:SOL-B CALCIUM-MONOCHLORIDE-GAS CALCIUM-CHLORIDE CALCIUM-CYANAMIDE CALCIUM-CARBONATE-CALCITE CALCIUM-CARBONATE-ARAGONITE CALCIUM-MONOFLUORIDE-GAS CALCIUM-FLUORIDE CALCIUM-FLUORIDE:SOL-A CALCIUM-FLUORIDE:SOL-B CALCIUM-DIIRON-TETRAOXIDE CALCIUM-MONOHYDRIDE-GAS CALCIUM-HYDRIDE CALCIUM-HYDRIDE:SOL-A CALCIUM-HYDRIDE:SOL-B CALCIUM-HAFNIUM-TRIOXIDE CALCIUM-HYDROGEN-PHOSPHATE CALCIUM-HYDROGEN-PHOSPHATEDIHYD CAI CALCIUM-MONOIODIDE-GAS CAI2 CALCIUM-IODIDE CAMG(CO3)2 DOLOMITE CAMG2 CALCIUM-2-MAGNESIUM CAMGO2 CALCIUM-MAGNESIUM-DIOXIDE CAMGSI2O6 DIOPSIDE CAMGSIO4 MONTICELLITE CAMOO4 CALCIUM-MOLYBDATE CANO3*2*2H2O CALCIUM-NITRATE-DIHYDRATE CANO3*2*3H2O CALCIUM-NITRATE-TRIHYDRATE CANO3*2*4H2O CALCIUM-NITRATE-TETRAHYDRATE CAO CALCIUM-OXIDE CAO2 CALCIUM-PEROXIDE CAOH CALCIUM-MONOHYDROXIDE-GAS CAPB CALCIUM-LEAD CAS CALCIUM-SULFIDE CASE CALCIUM-SELENIDE CASI CALCIUM-SILICON CASI2 CALCIUM-2-SILICON CASI2O5*2H2O CALCIUM-2-SILICATE-2-HYDRATE CASIO3 WOLLASTONITE CASIO3-B PSEUDOWOLLASTONITE CASN CALCIUM-TIN CASO3 CALCIUM-SULFITE CASO3*1:2W CALCIUM-SULFITE-HEMIHYDRATE CASO4 CALCIUM-SULFATE CASO4*1:2W:A CALCIUM-SULFATE-HEMIHYDRATE:S-A

Physical Property Data 11.1

Databanks • 1-127

INORGANIC Component Databank: Cd

1-128 • Databanks

Alias

Name

CASO4*2H2O CASO4:1 CASO4:2 CATE CATIO3-P CATIO3:A CATIO3:B CATISIO5 CAUO4 CAUO4:A CAUO4:B CAWO4 CAZN CAZN2 CAZRO3

CALCIUM-SULFATE-DIHYDRATEGYPSUM CALCIUM-SULFATE:SOL-1 CALCIUM-SULFATE:SOL-2 CALCIUM-TELLURIDE PEROVSKITE PEROVSKITE:SOL-A PEROVSKITE:SOL-B SPHENE CALCIUM-URANATE CALCIUM-URANATE:SOL-A CALCIUM-URANATE:SOL-B CALCIUM-TUNGSTATE CALCIUM-ZINC CALCIUM-2-ZINC CALCIUM-ZIRCONIUM-TRIOXIDE

Alias

Name

CD CD(OH)2 CD11U CD3(ASO4)2 CD3AS2 CDAL2O4 CDBR2 CDCL2 CDCO3 CDF2 CDGA2O4 CDI2 CDO CDS CDSB CDSE CDSEO3 CDSIO3 CDSO4 CDSO4:1 CDSO4:A CDSO4:B CDTE CDTIO3 CDTIO3:A CDTIO3:B CDWO4

CADMIUM CADMIUM-HYDROXIDE 11-CADMIUM-URANIUM CADMIUM-ARSENATE CADMIUM-ARSENIDE CADMIUM-DIALUMINIUM-TETRAOXIDE CADMIUM-BROMIDE CADMIUM-CHLORIDE CADMIUM-CARBONATE CADMIUM-FLUORIDE CADMIUM-DIGALLIUM-TETRAOXIDE CADMIUM-IODIDE CADMIUM-OXIDE CADMIUM-SULFIDE CADMIUM-ANTIMONY CADMIUM-SELENIDE CADMIUM-SELENITE CADMIUM-METASILICATE CADMIUM-SULFATE CADMIUM-SULFATE:SOL-1 CADMIUM-SULFATE:SOL-A CADMIUM-SULFATE:SOL-B CADMIUM-TELLURIDE CADMIUM-TITANIUM-TRIOXIDE CADMIUM-TITANIUM-TRIOXIDE:SOL-A CADMIUM-TITANIUM-TRIOXIDE:SOL-B CADMIUM-TUNGSTATE

Physical Property Data 11.1

INORGANIC Component Databank: Ce

Alias

Name

CE CE2(SO4)3 CE2C3 CE2O3 CE2S3 CE3S4 CE:C CE:D CEALO3 CEB6 CEBR3 CEC2 CECL3 CECRO3 CEF3 CEH2 CEI3 CEMG CEN CEO CEO2 CES CETE

CERIUM CERIUM-SULFATE DICERIUM-TRICARBIDE CERIUM-OXIDE CERIUM-SULFIDE TRICERIUM-TETRASULFIDE CERIUM:SOL-C CERIUM:SOL-D CERIUM-ALUMINIUM-TRIOXIDE CERIUM-HEXABORIDE CERIUM-BROMIDE CERIUM-DICARBIDE CERIUM-CHLORIDE CERIUM-CHROMIUM-TRIOXIDE CERIUM-FLUORIDE CERIUM-DIHYDRIDE CERIUM-IODIDE CERIUM-MAGNESIUM CERIUM-NITRIDE CERIUM-MONOXIDE-GAS CERIUM-DIOXIDE CERIUM-MONOSULFIDE CERIUM-MONOTELLURIDE-GAS

INORGANIC Component Databank: Cl

Alias

Name

CL CL2 CL2O-G CLF CLF3 CLO

CHLORINE-MONATOMIC-GAS CHLORINE DICHLORINE-MONOXIDE-GAS CHLORINE-MONOFLUORIDE-GAS CHLORINE-TRIFLUORIDE-GAS CHLORINE-MONOXIDE-GAS

INORGANIC Component Databank: Co

Alias

Name

CO(OH)2 CO-CL CO-CL2 CO-F2 CO2B CO2CL4 CO2P CO2SIO4 CO2TIO4 CO3(ASO4)2 CO3N CO3O4 CO3S4 CO:A

COBALT-HYDROXIDE-PRECIPITATED COBALT-MONOCHLORIDE-GAS COBALT-DICHLORIDE COBALT-DIFLUORIDE DICOBALT-BORIDE DICOBALT-TETRACHLORIDE-GAS DICOBALT-PHOSPHIDE DICOBALT-SILICATE DICOBALT-TITANIUM-TETRAOXIDE COBALT-ARSENATE TRICOBALT-NITRIDE TRICOBALT-TETRAOXIDE TRICOBALT-TETRASULFIDE COBALT:SOL-A

Physical Property Data 11.1

Databanks • 1-129

INORGANIC Component Databank: Cr

1-130 • Databanks

Alias

Name

CO:B COB COBALT COBR2 COBR2:1 COBR2:21 COCL3 COCO3 COCR2O4 COF3 COFE2O4 COFE2O4:1 COFE2O4:11 COI2 COO COP COP3 COS0.89 COS2 COSB0.98 COSB2 COSB3 COSEO3 COSN COSO4 COSO4:A COSO4:B COTIO3 COWO4 COWO4:A COWO4:B

COBALT:SOL-B COBALT-MONOBORIDE COBALT COBALT-DIBROMIDE COBALT-DIBROMIDE:SOL-1 COBALT-DIBROMIDE:SOL-21 COBALT-TRICHLORIDE-GAS COBALT-CARBONATE COBALT-DICHROMIUM-TETRAOXIDE COBALT-TRIFLUORIDE COBALT-DIIRON-TETRAOXIDE COBALT-DIIRON-TETRAOXIDE:SOL-1 COBALT-DIIRON-TETRAOXIDE:SOL-11 COBALT-DIIODIDE COBALT-MONOXIDE COBALT-MONOPHOSPHIDE COBALT-TRIPHOSPHIDE COBALT-0.89-SULFIDE COBALT-DISULFIDE COBALT-0.98-ANTIMONY COBALT-2-ANTIMONY COBALT-3-ANTIMONY COBALT-SELENITE COBALT-TIN COBALT-SULFATE COBALT-SULFATE:SOL-A COBALT-SULFATE:SOL-B COBALT-TITANIUM-TRIOXIDE COBALT-TUNGSTATE COBALT-TUNGSTATE:SOL-A COBALT-TUNGSTATE:SOL-B

Alias

Name

CR CR(CO)6 CR2(SO4)3 CR23C6 CR2FEO4 CR2MGO4 CR2N CR2NB CR2NIO4 CR2O3 CR2TA CR3(ASO4)2 CR3C2 CR3SI

CHROMIUM CHROMIUM-HEXACARBONYL CHROMIUM-SULFATE 23-CHROMIUM-6-CARBIDE DICHROMIUM-IRON-TETRAOXIDE DICHROMIUM-MAGNESIUM-TETRAOXIDE DICHROMIUM-NITRIDE 2-CHROMIUM-NIOBIUM DICHROMIUM-NICKEL-TETRAOXIDE ESKOLAITE 2-CHROMIUM-TANTALUM TRICHROMIUM-ARSENATE 3-CHROMIUM-2-CARBIDE 3-CHROMIUM-SILICON

Physical Property Data 11.1

INORGANIC Component Databank: Cs

Physical Property Data 11.1

Alias

Name

CR5SI3 CR7C3 CRASO4 CRB CRB2 CRBR2 CRBR3 CRBR4 CRCL2 CRCL3 CRCL4 CRF2 CRF3 CRF4 CRI2 CRI3 CRN CRNAO2 CRO CRO2 CRO2CL2 CRO3 CRS CRS1.17 CRS1.17:A CRS1.17:B CRS1.17:C CRS:1 CRS:2 CRSI CRSI2

5-CHROMIUM-3-SILICON 7-CHROMIUM-3-CARBIDE CHROMIUM-ARSENATE CHROMIUM-MONOBORIDE CHROMIUM-DIBORIDE CHROMIUM-DIBROMIDE CHROMIUM-TRIBROMIDE CHROMIUM-TETRABROMIDE-GAS CHROMIUM-DICHLORIDE CHROMIUM-TRICHLORIDE CHROMIUM-TETRACHLORIDE-GAS CHROMIUM-DIFLUORIDE CHROMIUM-TRIFLUORIDE CHROMIUM-TETRAFLUORIDE CHROMIUM-DIIODIDE CHROMIUM-TRIIODIDE CHROMIUM-NITRIDE CHROMIUM-SODIUM-DIOXIDE CHROMIUM-MONOXIDE-GAS CHROMIUM-DIOXIDE CHROMIUM-DICHLORIDE-DIOXIDE-GAS CHROMIUM-TRIOXIDE CHROMIUM-MONOSULFIDE CHROMIUM-1.17-SULFIDE CHROMIUM-1.17-SULFIDE:SOL-A CHROMIUM-1.17-SULFIDE:SOL-B CHROMIUM-1.17-SULFIDE:SOL-C CHROMIUM-MONOSULFIDE:SOL-1 CHROMIUM-MONOSULFIDE:SOL-2 CHROMIUM-SILICON CHROMIUM-2-SILICON

Alias

Name

CS CS-2 CS2(OH)2 CS2CL2 CS2CO3 CS2F2 CS2O CS2O3 CS2SO4 CS2SO4:A CS2SO4:B CS3ASO4 CSBR CSCL

CESIUM CESIUM-DIATOMIC-GAS DICESIUM-DIHYDROXIDE-GAS DICESIUM-DICHLORIDE-GAS CESIUM-CARBONATE DICESIUM-DIFLUORIDE-GAS CESIUM-OXIDE DICESIUM-TRIOXIDE CESIUM-SULFATE CESIUM-SULFATE:SOL-A CESIUM-SULFATE:SOL-B CESIUM-ARSENATE CESIUM-BROMIDE CESIUM-CHLORIDE

Databanks • 1-131

INORGANIC Component Databank: Cu

1-132 • Databanks

Alias

Name

CSCL:A CSCL:B CSF CSI CSO CSO2 CSOH CSOH:A CSOH:B CSOH:C

CESIUM-CHLORIDE:SOL-A CESIUM-CHLORIDE:SOL-B CESIUM-FLUORIDE CESIUM-IODIDE CESIUM-MONOXIDE-GAS CESIUM-DIOXIDE CESIUM-HYDROXIDE CESIUM-HYDROXIDE:SOL-A CESIUM-HYDROXIDE:SOL-B CESIUM-HYDROXIDE:SOL-C

Alias

Name

CU CU(OH)2 CU2MG CU2O CU2OSO4 CU2S CU2S:A CU2S:B CU2S:C CU2SB CU2SB:1 CU2SB:11 CU2SE CU2SE:A CU2SE:B CU2SO4 CU2TE CU2TE:A CU2TE:B CU2TE:C CU2TE:D CU2TE:E CU2TE:Z CU3(ASO4)2 CU3AS CU3ASO4 CU3BR3 CU3CL3 CU3I3 CU3P CU5FES4 CU5FES4:A CU5FES4:B CU5FES4:C CUBR

COPPER COPPER-HYDROXIDE 2-COPPER-1-MAGNESIUM DICOPPER-OXIDE DICOPPER-OXIDE-SULFATE DICOPPER-SULFIDE DICOPPER-SULFIDE:SOL-A DICOPPER-SULFIDE:SOL-B DICOPPER-SULFIDE:SOL-C 2-COPPER-ANTIMONY 2-COPPER-ANTIMONY:SOL-1 2-COPPER-ANTIMONY:SOL-11 DICOPPER-SELENIDE DICOPPER-SELENIDE:SOL-A DICOPPER-SELENIDE:SOL-B DICOPPER-SULFATE DICOPPER-TELLURIDE DICOPPER-TELLURIDE:SOL-A DICOPPER-TELLURIDE:SOL-B DICOPPER-TELLURIDE:SOL-C DICOPPER-TELLURIDE:SOL-D DICOPPER-TELLURIDE:SOL-E DICOPPER-TELLURIDE:SOL-Z TRICOPPER-DIARSENATE TRICOPPER-ARSENIDE TRICOPPER-ARSENATE TRICOPPER-TRIBROMIDE-GAS TRICOPPER-TRICHLORIDE-GAS TRICOPPER-TRIIODIDE-GAS TRICOPPER-PHOSPHIDE PENTACOPPER-IRON-TETRASULFIDE PENTACOPPER-IRON-TETRASULFIDE:A PENTACOPPER-IRON-TETRASULFIDE:B PENTACOPPER-IRON-TETRASULFIDE:C COPPER-MONOBROMIDE

Physical Property Data 11.1

Physical Property Data 11.1

Alias

Name

CUBR2 CUBR:A CUBR:B CUBR:C CUCL CUCL2 CUCL2:A CUCL2:B CUCL:A CUCL:B CUCN CUF CUF2 CUFE2O4 CUFE2O4:A CUFE2O4:B CUFE2O4:C CUFEO2 CUFEO2:A CUFEO2:B CUFES2 CUFES2:A CUFES2:B CUFES2:C CUI CUI:A CUI:B CUI:C CUMG2 CUMOO4 CUO CUP2 CUS CUSE CUSE:B CUSE:O CUSEO3 CUSO4 CUSO4*3H2O CUSO4*5H2O CUSO4*H2O CUTE

COPPER-DIBROMIDE COPPER-MONOBROMIDE:SOL-A COPPER-MONOBROMIDE:SOL-B COPPER-MONOBROMIDE:SOL-C CUPROUS-CHLORIDE COPPER-DICHLORIDE COPPER-DICHLORIDE:SOL-A COPPER-DICHLORIDE:SOL-B COPPER-MONOCHLORIDE:SOL-A COPPER-MONOCHLORIDE:SOL-B COPPER-CYANIDE COPPER-MONOFLUORIDE COPPER-DIFLUORIDE COPPER-DIIRON-TETRAOXIDE COPPER-DIIRON-TETRAOXIDE:SOL-A COPPER-DIIRON-TETRAOXIDE:SOL-B COPPER-DIIRON-TETRAOXIDE:SOL-C COPPER-IRON-DIOXIDE COPPER-IRON-DIOXIDE:SOL-A COPPER-IRON-DIOXIDE:SOL-B COPPER-IRON-DISULFIDE COPPER-IRON-DISULFIDE:SOL-A COPPER-IRON-DISULFIDE:SOL-B COPPER-IRON-DISULFIDE:SOL-C COPPER-MONOIODIDE COPPER-MONOIODIDE:SOL-A COPPER-MONOIODIDE:SOL-B COPPER-MONOIODIDE:SOL-C 1-COPPER-2-MAGNESIUM COPPER-MOLYBDATE COPPER-MONOXIDE COPPER-DIPHOSPHIDE COPPER-SULFIDE COPPER-SELENIDE COPPER-SELENIDE:SOL-B COPPER-SELENIDE:SOL-O COPPER-SELENITE COPPER-SULFATE COPPER-SULFATE-TRIHYDRATE COPPER-SULFATE-PENTAHYDRATE COPPER-SULFATE-MONOHYDRATE COPPER-TELLURIDE

Databanks • 1-133

INORGANIC Component Databank: Dy

Alias

Name

DY DY2O3 DY:A DY:B DYBR3 DYCL3 DYCL3*6H2O DYF3 DYI3

DYSPROSIUM DYSPROSIUM-OXIDE DYSPROSIUM:SOL-A DYSPROSIUM:SOL-B DYSPROSIUM-BROMIDE-GAS DYSPROSIUM-CHLORIDE DYSPROSIUM-CHLORIDE-HEXAHYDRATE DYSPROSIUM-FLUORIDE DYSPROSIUM-IODIDE-GAS

INORGANIC Component Databank: Er

Alias

Name

ER ER2O3 ERBR3 ERCL3 ERCL3*6H2O ERF3 ERF3:A ERF3:B ERI3

ERBIUM ERBIUM-OXIDE-CUBIC ERBIUM-BROMIDE-GAS ERBIUM-CHLORIDE ERBIUM-CHLORIDE-HEXAHYDRATE ERBIUM-FLUORIDE ERBIUM-FLUORIDE:SOL-A ERBIUM-FLUORIDE:SOL-B ERBIUM-IODIDE-GAS

INORGANIC Component Databank: Eu

Alias

Name

EU EU2O3 EU2O3-M EU2O3-M:M1 EU2O3-M:M2 EUBR2 EUBR3 EUCL3 EUCL3*6H2O EUF3 EUF3:A EUF3:B EUS

EUROPIUM EUROPIUM-OXIDE-CUBIC EUROPIUM-OXIDE-MONOCLINIC EUROPIUM-OXIDE-MONOCLINIC:SOL-M1 EUROPIUM-OXIDE-MONOCLINIC:SOL-M2 EUROPIUM-DIBROMIDE EUROPIUM-BROMIDE EUROPIUM-CHLORIDE EUROPIUM-CHLORIDE-HEXAHYDRATE EUROPIUM-FLUORIDE EUROPIUM-FLUORIDE:SOL-A EUROPIUM-FLUORIDE:SOL-B EUROPIUM-MONOSULFIDE

INORGANIC Component Databank: Fe

Alias

Name

FE FE(CO)5 FE(OH)2 FE(OH)3 FE(VO3)2 FE0.877S FE0.877S:A FE0.877S:B FE0.947O FE2(SO4)3 FE2B

IRON IRON-PENTACARBONYL IRON-DIHYDROXIDE IRON-TRIHYDROXIDE IRON-VANADATE PYRRHOTITE PYRRHOTITE:SOL-A PYRRHOTITE:SOL-B WUESTITE DIIRON-TRISULFATE DIIRON-BORIDE

1-134 • Databanks

Physical Property Data 11.1

Physical Property Data 11.1

Alias

Name

FE2BR4 FE2CL4 FE2CL6 FE2I4 FE2MGO4 FE2MNO4 FE2MNO4:1 FE2MNO4:2 FE2NIO4 FE2NIO4:A FE2NIO4:B FE2O3 FE2O3*H2O FE2O3:A FE2O3:B FE2SIO4 FE2TA FE2TIO4 FE2U FE2ZNO4 FE3(ASO4)2 FE3C FE3C:A FE3C:B FE3MO2 FE3O4 FE3O4:A FE3O4:B FE4N FE4N:A FE4N:B FE:A FE:B FE:C FE:D FEAL2O4 FEASO4 FEASO4:A FEASO4:B FEASO4:C FEB FEBR2 FEBR2:1 FEBR2:2 FEBR3 FECL FECL2

DIIRON-TETRABROMIDE-GAS DIIRON-TETRACHLORIDE-GAS DIIRON-HEXACHLORIDE-GAS DIIRON-TETRAIODIDE-GAS DIIRON-MAGNESIUM-TETRAOXIDE DIIRON-MANGANESE-TETRAOXIDE DIIRON-MANGANESE-TETRAOXIDE:S-1 DIIRON-MANGANESE-TETRAOXIDE:S-2 DIIRON-NICKEL-TETRAOXIDE DIIRON-NICKEL-TETRAOXIDE:SOL-A DIIRON-NICKEL-TETRAOXIDE:SOL-B HEMATITE IRON-TRIOXIDE-HYDRATE-GOETHITE HEMATITE:SOL-A HEMATITE:SOL-B IRON-ORTHOSILICATE-FAYALITE 2-IRON-TANTALUM DIIRON-TITANIUM-TETROXIDE 2-IRON-URANIUM DIIRON-ZINC-TETRAOXIDE TRIIRON-DIARSENATE TRIIRON-CARBIDE TRIIRON-CARBIDE:SOL-A TRIIRON-CARBIDE:SOL-B 3-IRON-2-MOLYBDENUM MAGNETITE MAGNETITE:SOL-A MAGNETITE:SOL-B TETRAIRON-NITRIDE TETRAIRON-NITRIDE:SOL-A TETRAIRON-NITRIDE:SOL-B IRON:SOL-A IRON:SOL-B IRON:SOL-C IRON:SOL-D IRON-DIALUMINIUM-TETRAOXIDE IRON-ARSENATE IRON-ARSENATE:SOL-A IRON-ARSENATE:SOL-B IRON-ARSENATE:SOL-C IRON-MONOBORIDE IRON-DIBROMIDE IRON-DIBROMIDE:SOL-1 IRON-DIBROMIDE:SOL-2 IRON-TRIBROMIDE IRON-MONOCHLORIDE-GAS FERROUS-CHLORIDE

Databanks • 1-135

INORGANIC Component Databank: Ga

1-136 • Databanks

Alias

Name

FECL3 FECO3 FEF2 FEF3 FEI2 FEI2:1 FEI2:2 FEMOO4 FENAO2 FEO FEOCL FES FES2 FES:A FES:B FES:C FESE0.96 FESE0.96:A FESE0.96:B FESI FESI2 FESI2.33 FESIO3 FESO4 FETE0.9 FETE2 FETI FETIO3 FEV2O4 FEWO4

FERRIC-CHLORIDE IRON-CARBONATE IRON-DIFLUORIDE IRON-TRIFLUORIDE IRON-DIIODIDE IRON-DIIODIDE:SOL-1 IRON-DIIODIDE:SOL-2 IRON-MOLYBDATE IRON-SODIUM-DIOXIDE FERROUS-OXIDE IRON-CHLORIDE-OXIDE IRON-MONOSULFIDE IRON-DISULFIDE-PYRITE IRON-MONOSULFIDE:SOL-A IRON-MONOSULFIDE:SOL-B IRON-MONOSULFIDE:SOL-C IRON-0.96-SELENIDE IRON-0.96-SELENIDE:SOL-A IRON-0.96-SELENIDE:SOL-B IRON-SILICON LEBOITE-BETA LEBOITE-ALPHA IRON-METASILICATE FERROUS-SULFATE IRON-0.9-TELLURIDE IRON-DITELLURIDE IRON-TITANIUM IRON-TITANIUM-TRIOXIDE-ILMENITE IRON-DIVANADIUM-TETRAOXIDE IRON-TUNGSTATE

Alias

Name

GA GA2(SEO4)3 GA2CL6 GA2O GA2O3 GA2S GA2S3 GA2SE3 GA2TE3 GAAS GAASO4 GABR3 GACL GACL2 GACL3

GALLIUM GALLIUM-SELENATE DIGALLIUM-HEXACHLORIDE-GAS DIGALLIUM-OXIDE-GAS GALLIUM-OXIDE DIGALLIUM-SULFIDE-GAS DIGALLIUM-TRISULFIDE DIGALLIUM-TRISELENIDE DIGALLIUM-TRITELLURIDE GALLIUM-ARSENIDE GALLIUM-ARSENATE GALLIUM-BROMIDE GALLIUM-MONOCHLORIDE-GAS GALLIUM-DICHLORIDE-GAS GALLIUM-TRICHLORIDE

Physical Property Data 11.1

Alias

Name

GAF GAF2 GAF3 GAI3 GAN GAO GAP GAS GASB GASE GATE

GALLIUM-MONOFLUORIDE-GAS GALLIUM-DIFLUORIDE-GAS GALLIUM-FLUORIDE GALLIUM-IODIDE GALLIUM-NITRIDE GALLIUM-MONOXIDE-GAS GALLIUM-PHOSPHIDE GALLIUM-MONOSULFIDE GALLIUM-ANTIMONY GALLIUM-MONOSELENIDE GALLIUM-MONOTELLURIDE

INORGANIC Component Databank: Gd

Alias

Name

GD GD2O3 GD2O3-M GD:A GD:B GDBR3 GDCL3 GDF3 GDF3:A GDF3:B GDI3 GDI3:A GDI3:B GDOCL

GADOLINIUM GADOLINIUM-OXIDE-CUBIC GADOLINIUM-OXIDE-MONOCLINIC GADOLINIUM:SOL-A GADOLINIUM:SOL-B GADOLINIUM-BROMIDE GADOLINIUM-CHLORIDE GADOLINIUM-FLUORIDE GADOLINIUM-FLUORIDE:SOL-A GADOLINIUM-FLUORIDE:SOL-B GADOLINIUM-IODIDE GADOLINIUM-IODIDE:SOL-A GADOLINIUM-IODIDE:SOL-B GADOLINIUM-CHLORIDE-OXIDE

INORGANIC Component Databank: Ge

Alias

Name

GE GE2U GE3U GE3U5 GE5U3 GEBR4 GECL GECL2 GECL3 GECL4 GEF GEF2 GEF3 GEF4 GEH4 GEI4 GEMG2 GENI2

GERMANIUM 2-GERMANIUM-URANIUM 3-GERMANIUM-URANIUM 3-GERMANIUM-5-URANIUM 5-GERMANIUM-3-URANIUM GERMANIUM-TETRABROMIDE-GAS GERMANIUM-MONOCHLORIDE-GAS GERMANIUM-DICHLORIDE-GAS GERMANIUM-TRICHLORIDE-GAS GERMANIUM-TETRACHLORIDE-GAS GERMANIUM-MONOFLUORIDE-GAS GERMANIUM-DIFLUORIDE-GAS GERMANIUM-TRIFLUORIDE-GAS GERMANIUM-TETRAFLUORIDE-GAS GERMANIUM-TETRAHYDRIDE GERMANIUM-TETRAIODIDE-GAS GERMANIUM-2-MAGNESIUM GERMANIUM-2-NICKEL

Physical Property Data 11.1

Databanks • 1-137

INORGANIC Component Databank: H

1-138 • Databanks

Alias

Name

GEO GEO2 GEO2:A GEO2:B GEP GES GES2 GESE GESE2 GETE GEU

GERMANIUM-MONOXIDE-GAS GERMANIUM-DIOXIDE GERMANIUM-DIOXIDE:SOL-A GERMANIUM-DIOXIDE:SOL-B GERMANIUM-PHOSPHIDE GERMANIUM-MONOSULFIDE GERMANIUM-DISULFIDE GERMANIUM-MONOSELENIDE GERMANIUM-DISELENIDE GERMANIUM-MONOTELLURIDE GERMANIUM-URANIUM

Alias

Name

D D2 D2O D2S DCL DF DH DS H 1/2-H2 H2 H2O H2O2 H2S H2S2 H2SE-G H2SO4 H2TE H2WO4 H3BO3 H3N H3PO4 H4N2 HBO2 HBR HCL HDO HF HI HNCO HNO3 HS

DEUTERIUM-MONATOMIC-GAS DEUTERIUM DEUTERIUM-OXIDE HYDROGEN-SULFIDE-D2-GAS HYDROGEN-CHLORIDE-D1-GAS HYDROGEN-FLUORIDE-D1-GAS HYDROGEN-D1-GAS HYDROGEN-MONOSULFIDE-D1-GAS HYDROGEN-MONATOMIC-GAS 1/2-HYDROGEN HYDROGEN WATER HYDROGEN-PEROXIDE HYDROGEN-SULFIDE DIHYDROGEN-DISULFIDE-GAS HYDROGEN-SELENIDE-GAS SULFURIC-ACID HYDROGEN-TELLURIDE-GAS TUNGSTIC-ACID HYDROGEN-ORTHOBORATE AMMONIA ORTHOPHOSPHORIC-ACID HYDRAZINE METABORIC-ACID HYDROGEN-BROMIDE HYDROGEN-CHLORIDE WATER-D1-GAS HYDROGEN-FLUORIDE HYDROGEN-IODIDE ISOCYANIC-ACID-GAS NITRIC-ACID HYDROGEN-MONOSULFIDE-GAS

Physical Property Data 11.1

INORGANIC Component Databank: Hf

Alias

Name

HAFNIUM HF:A HF:B HFB2 HFBR4 HFC HFCL2 HFCL3 HFCL4 HFF4 HFI4 HFN HFO2 HFO2:A HFO2:B HFSRO3

HAFNIUM HAFNIUM:SOL-A HAFNIUM:SOL-B HAFNIUM-DIBORIDE HAFNIUM-TETRABROMIDE HAFNIUM-CARBIDE HAFNIUM-DICHLORIDE-GAS HAFNIUM-TRICHLORIDE-GAS HAFNIUM-TETRACHLORIDE HAFNIUM-TETRAFLUORIDE HAFNIUM-TETRAIODIDE HAFNIUM-NITRIDE HAFNIUM-DIOXIDE HAFNIUM-DIOXIDE:SOL-A HAFNIUM-DIOXIDE:SOL-B HAFNIUM-STRONTIUM-TRIOXIDE

INORGANIC Component Databank: Hg

Alias

Name

HG HG2BR2 HG2CL2 HG2F2 HG2I2 HG2SO4 HG3(ASO4)2 HGBR HGBR2 HGCL HGCL2 HGF HGF2 HGH HGI HGI2 HGI2:A HGI2:B HGO HGS HGS:B HGS:R HGSE HGSEO3 HGSO4 HGTE

MERCURY DIMERCURY-DIBROMIDE DIMERCURY-DICHLORIDE DIMERCURY-DIFLUORIDE DIMERCURY-DIIODIDE DIMERCURY-SULFATE TRIMERCURY-DIARSENATE MERCURY-MONOBROMIDE-GAS MERCURY-DIBROMIDE MERCURY-MONOCHLORIDE-GAS MERCURY-DICHLORIDE MERCURY-MONOFLUORIDE-GAS MERCURY-DIFLUORIDE MERCURY-MONOHYDRIDE-GAS MERCURY-MONOIODIDE-GAS MERCURY-DIIODIDE MERCURY-DIIODIDE:SOL-A MERCURY-DIIODIDE:SOL-B MERCURY-OXIDE-RED MERCURY-SULFIDE-RED MERCURY-SULFIDE-RED:SOL-B MERCURY-SULFIDE-RED:SOL-R MERCURY-SELENIDE MERCURY-SELENITE MERCURY-SULFATE MERCURY-TELLURIDE

Physical Property Data 11.1

Databanks • 1-139

INORGANIC Component Databank: Ho

Alias

Name

HO-1 HO2O3 HO:A HO:B HOBR3 HOCL3 HOCL3*6H2O HOF3 HOF3:A HOF3:B

HOLMIUM HOLMIUM-OXIDE HOLMIUM:SOL-A HOLMIUM:SOL-B HOLMIUM-BROMIDE HOLMIUM-CHLORIDE HOLMIUM-CHLORIDE-HEXAHYDRATE HOLMIUM-FLUORIDE HOLMIUM-FLUORIDE:SOL-A HOLMIUM-FLUORIDE:SOL-B

INORGANIC Component Databank: In

Alias

Name

IN IN2(SO4)3 IN2CL6 IN2O IN2O3 IN2S3 IN2S3:A IN2S3:B IN2S3:C IN2SE3 IN2SE3:A IN2SE3:B IN2TE IN2TE3 IN2TE3:A IN2TE3:B IN5S6 INAS INASO4 INBR INBR3 INCL INCL2 INCL2:1 INCL2:2 INCL3 INCL:A INCL:B INF INF2 INF3 INI INI2 INI3 INN

INDIUM DIINDIUM-TRISULFATE DIINDIUM-HEXACHLORIDE-GAS DIINDIUM-OXIDE-GAS DIINDIUM-TRIOXIDE DIINDIUM-TRISULFIDE DIINDIUM-TRISULFIDE:SOL-A DIINDIUM-TRISULFIDE:SOL-B DIINDIUM-TRISULFIDE:SOL-C DIINDIUM-TRISELENIDE DIINDIUM-TRISELENIDE:SOL-A DIINDIUM-TRISELENIDE:SOL-B DIINDIUM-TELLURIDE DIINDIUM-TRITELLURIDE DIINDIUM-TRITELLURIDE:SOL-A DIINDIUM-TRITELLURIDE:SOL-B PENTAINDIUM-HEXASULFIDE INDIUM-ARSENIDE INDIUM-ARSENATE INDIUM-MONOBROMIDE INDIUM-TRIBROMIDE INDIUM-MONOCHLORIDE INDIUM-DICHLORIDE INDIUM-DICHLORIDE:SOL-1 INDIUM-DICHLORIDE:SOL-2 INDIUM-TRICHLORIDE INDIUM-MONOCHLORIDE:SOL-A INDIUM-MONOCHLORIDE:SOL-B INDIUM-MONOFLUORIDE-GAS INDIUM-DIFLUORIDE-GAS INDIUM-TRIFLUORIDE INDIUM-MONOIODIDE INDIUM-DIIODIDE-GAS INDIUM-TRIIODIDE INDIUM-NITRIDE

1-140 • Databanks

Physical Property Data 11.1

Alias

Name

INP INP:A INP:B INS INSB INSE INTE

INDIUM-PHOSPHIDE INDIUM-PHOSPHIDE:SOL-A INDIUM-PHOSPHIDE:SOL-B INDIUM-MONOSULFIDE INDIUM-ANTIMONY INDIUM-MONOSELENIDE INDIUM-MONOTELLURIDE

INORGANIC Component Databank: Ir

Alias

Name

IR IR2S3 IRBR3 IRCL3 IRF6 IRI IRI2 IRO2 IRO3 IRS2

IRIDIUM DIIRIDIUM-TRISULFIDE IRIDIUM-TRIBROMIDE IRIDIUM-TRICHLORIDE IRIDIUM-HEXAFLUORIDE-GAS IRIDIUM-MONOIODIDE IRIDIUM-DIIODIDE IRIDIUM-DIOXIDE IRIDIUM-TRIOXIDE-GAS IRIDIUM-DISULFIDE

INORGANIC Component Databank: K

Alias

Name

K K2 K2(CN)2 K2(OH)2 K2B407 K2B6O10 K2B8O13 K2BR2 K2CL2 K2CO3 K2CRO4 K2CRO4:A K2CRO4:B K2F2 K2HPO4 K2I2 K2O K2O2 K2S K2S:1 K2S:2 K2SI2O5 K2SI2O5:B K2SI2O5:C K2SI4O9 K2SI4O9:A

POTASSIUM POTASSIUM-DIATOMIC-GAS DIPOTASSIUM-DICYANIDE-GAS DIPOTASSIUM-DIHYDROXIDE-GAS DIPOTASSIUM-TETRABORATE DIPOTASSIUM-HEXABORATE DIPOTASSIUM-OCTABORATE DIPOTASSIUM-DIBROMIDE-GAS DIPOTASSIUM-DICHLORIDE-GAS POTASSIUM-CARBONATE POTASSIUM-CHROMATE POTASSIUM-CHROMATE:SOL-A POTASSIUM-CHROMATE:SOL-B DIPOTASSIUM-DIFLUORIDE-GAS DIPOTASSIUM-PHOSPHATE DIPOTASSIUM-DIIODIDE-GAS POTASSIUM-OXIDE DIPOTASSIUM-PEROXIDE POTASSIUM-SULFIDE POTASSIUM-SULFIDE:SOL-1 POTASSIUM-SULFIDE:SOL-2 POTASSIUM-DISILICATE POTASSIUM-DISILICATE:SOL-B POTASSIUM-DISILICATE:SOL-C POTASSIUM-TETRASILICATE POTASSIUM-TETRASILICATE:SOL-A

Physical Property Data 11.1

Databanks • 1-141

Alias

Name

K2SI4O9:B K2SIO3 K2SO3 K2SO4 K2SO4:A K2SO4:B K3ALCL6

POTASSIUM-TETRASILICATE:SOL-B POTASSIUM-METASILICATE POTASSIUM-SULFITE POTASSIUM-SULFATE POTASSIUM-SULFATE:SOL-A POTASSIUM-SULFATE:SOL-B TRIPOTASSIUMHEXACHLOROALUMINATE K3ALF6 TRIPOTASSIUMHEXAFLUOROALUMINATE K3ASO4 POTASSIUM-ARSENATE K3PO4 POTASSIUM-PHOSPHATE KAL(SO4)2 POTASSIUM-ALUMINIUM-SULFATE KALCL4 POTASSIUM-TETRACHLOROALUMINATE KALSI2O6 LEUCITE KALSI3O8 SANIDINE KALSI3O8-A ADULARIA KALSI3O8-M MICROCLINE KALSIO4 KALIOPHILITE KALSO4*2*12W POTASSIUM-ALUMINIUM-SULFATE-12-H KALSO4*2*3W POTASSIUM-ALUMINIUM-SULFATE-3-HY KBO2 POTASSIUM-METABORATE KBR POTASSIUM-BROMIDE KCL POTASSIUM-CHLORIDE KCLO4 POTASSIUM-PERCHLORATE KCLO4:1 POTASSIUM-PERCHLORATE:SOL-1 KCLO4:2 POTASSIUM-PERCHLORATE:SOL-2 KCN POTASSIUM-CYANIDE KF POTASSIUM-FLUORIDE KH POTASSIUM-HYDRIDE KH2PO4 POTASSIUM-DIHYDROGEN-PHOSPHATE KH2PO4:1 POTASSIUM-DIHYDROGEN-PHOS:SOL-1 KH2PO4:2 POTASSIUM-DIHYDROGEN-PHOS:SOL-2 KI POTASSIUM-IODIDE KNO3 POTASSIUM-NITRATE KNO3:A POTASSIUM-NITRATE:SOL-A KNO3:B POTASSIUM-NITRATE:SOL-B KO POTASSIUM-MONOXIDE-GAS KO2 POTASSIUM-DIOXIDE KOH POTASSIUM-HYDROXIDE KOH:A POTASSIUM-HYDROXIDE:SOL-A KOH:B POTASSIUM-HYDROXIDE:SOL-B

INORGANIC Component Databank: La

1-142 • Databanks

Alias

Name

LA LA2O3 LA2S3

LANTHANUM LANTHANUM-OXIDE LANTHANUM-SULFIDE

Physical Property Data 11.1

INORGANIC Component Databank: Li

Physical Property Data 11.1

Alias

Name

LA2SE3 LA2TE3 LA:A LA:B LA:C LAASO4 LABR3 LACL3 LAF3 LAH2 LAI3 LAMG LAN LAO LAOCL LAS LASE

LANTHANUM-SELENIDE LANTHANUM-TELLURIDE LANTHANUM:SOL-A LANTHANUM:SOL-B LANTHANUM:SOL-C LANTHANUM-ARSENATE LANTHANUM-BROMIDE LANTHANUM-CHLORIDE LANTHANUM-FLUORIDE LANTHANUM-DIHYDRIDE LANTHANUM-IODIDE LANTHANUM-MAGNESIUM LANTHANUM-NITRIDE LANTHANUM-MONOXIDE-GAS LANTHANUM-CHLORIDE-OXIDE LANTHANUM-MONOSULFIDE LANTHANUM-MONOSELENIDE

Alias

Name

LI LI2 LI2(OH)2 LI2B4O7 LI2B6O10 LI2BEF4 LI2BR2 LI2CL2 LI2CO3 LI2CO3:A LI2CO3:B LI2CO3:C LI2F2 LI2I2 LI2O LI2O2 LI2S LI2SE LI2SI2O5 LI2SI2O5:A LI2SI2O5:B LI2SIO3 LI2SO4 LI2SO4:A LI2SO4:B LI2TE LI2TIO3 LI2TIO3:A

LITHIUM LITHIUM-DIATOMIC-GAS DILITHIUM-DIHYDROXIDE-GAS DILITHIUM-TETRABORATE DILITHIUM-HEXABORATE DILITHIUM-TETRAFLUOROBERYLLATE DILITHIUM-DIBROMIDE-GAS DILITHIUM-DICHLORIDE-GAS LITHIUM-CARBONATE LITHIUM-CARBONATE:SOL-A LITHIUM-CARBONATE:SOL-B LITHIUM-CARBONATE:SOL-C DILITHIUM-DIFLUORIDE-GAS DILITHIUM-DIIODIDE-GAS LITHIUM-OXIDE DILITHIUM-PEROXIDE LITHIUM-SULFIDE LITHIUM-SELENIDE LITHIUM-DISILICATE LITHIUM-DISILICATE:SOL-A LITHIUM-DISILICATE:SOL-B LITHIUM-METASILICATE LITHIUM-SULFATE LITHIUM-SULFATE:SOL-A LITHIUM-SULFATE:SOL-B LITHIUM-TELLURIDE DILITHIUM-TITANIUM-TRIOXIDE DILITHIUM-TITANIUM-TRIOXIDE:S-A

Databanks • 1-143

INORGANIC Component Databank: Mg

1-144 • Databanks

Alias

Name

LI2TIO3:B LI2ZRO3 LI3ALF6 LI3ALF6:B LI3ALF6:C LI3ALF6:D LI3ALF6:E LI3ASO4 LI3F3 LI3N LI4SIO4 LIALF4 LIALO2 LIALSI2O6 LIALSI2O6-B LIALSIO4 LIALSIO4:B LIALSIO4:C LIBEF3 LIBO2 LIBR LICL LICLO LICLO4 LIF LIFEO2 LIFO LIH LII LIO LIOH

DILITHIUM-TITANIUM-TRIOXIDE:S-B DILITHIUM-ZIRCONIUM-TRIOXIDE TRILITHIUM-HEXAFLUOROALUMINATE TRILITHIUM-6-FLUOROALUMINATE:S-B TRILITHIUM-6-FLUOROALUMINATE:S-C TRILITHIUM-6-FLUOROALUMINATE:S-D TRILITHIUM-6-FLUOROALUMINATE:S-E LITHIUM-ARSENATE TRILITHIUM-TRIFLUORIDE-GAS TRILITHIUM-NITRIDE LITHIUM-ORTHOSILICATE LITHIUM-TETRAFLUOROALUMINATEGAS LITHIUM-ALUMINATE ALPHA-SPODUMENE BETA-SPODUMENE EUCRYPTITE EUCRYPTITE:SOL-B EUCRYPTITE:SOL-C LITHIUM-TRIFLUOROBERYLLATE LITHIUM-METABORATE LITHIUM-BROMIDE LITHIUM-CHLORIDE LITHIUM-HYPOCHLORITE-GAS LITHIUM-PERCHLORATE LITHIUM-FLUORIDE LITHIUM-IRON-DIOXIDE LITHIUM-HYPOFLUORITE-GAS LITHIUM-HYDRIDE LITHIUM-IODIDE LITHIUM-MONOXIDE-GAS LITHIUM-HYDROXIDE

Alias

Name

MG MG(NO3)2 MG(OH)2 MG(OH)CL MG(VO3)2 MG2BR4 MG2C3 MG2F4 MG2PB MG2SI MG2SIO4 MG2TH MG2TIO4

MAGNESIUM MAGNESIUM-NITRATE MAGNESIUM-HYDROXIDE MAGNESIUM-CHLORIDE-HYDROXIDE MAGNESIUM-METAVANADATE DIMAGNESIUM-TETRABROMIDE-GAS DIMAGNESIUM-TRICARBIDE DIMAGNESIUM-TETRAFLUORIDE-GAS 2-MAGNESIUM-LEAD 2-MAGNESIUM-SILICON MAGNESIUM-ORTHOSILICATE 2-MAGNESIUM-THORIUM DIMAGNESIUM-TITANIUM-TETRAOXIDE

Physical Property Data 11.1

INORGANIC Component Databank: Mn

Physical Property Data 11.1

Alias

Name

MG2V2O7 MG3(ASO4)2 MG3(PO4)2 MG3N2 MG3N2:A MG3N2:B MG3N2:C MGAL2O4 MGB2 MGB4 MGBR MGBR2 MGC2 MGCL MGCL2 MGCO3 MGF MGF2 MGH2 MGI MGI2 MGMOO4 MGNI2 MGO MGOH MGS MGSE MGSEO3 MGSIO3 MGSIO3:1 MGSIO3:2 MGSIO3:3 MGSO4 MGTE MGTI2O5 MGTIO3 MGWO4

MAGNESIUM-PYROVANADATE MAGNESIUM-ARSENATE MAGNESIUM-ORTHOPHOSPHATE TRIMAGNESIUM-DINITRIDE TRIMAGNESIUM-DINITRIDE:SOL-A TRIMAGNESIUM-DINITRIDE:SOL-B TRIMAGNESIUM-DINITRIDE:SOL-C MAGNESIUM-DIALUMINIUMTETRAOXIDE MAGNESIUM-DIBORIDE MAGNESIUM-TETRABORIDE MAGNESIUM-MONOBROMIDE-GAS MAGNESIUM-BROMIDE MAGNESIUM-DICARBIDE MAGNESIUM-MONOCHLORIDE-GAS MAGNESIUM-CHLORIDE MAGNESIUM-CARBONATE MAGNESIUM-MONOFLUORIDE-GAS MAGNESIUM-FLUORIDE MAGNESIUM-HYDRIDE MAGNESIUM-MONOIODIDE-GAS MAGNESIUM-IODIDE MAGNESIUM-MOLYBDATE MAGNESIUM-2-NICKEL MAGNESIUM-OXIDE MAGNESIUM-MONOHYDROXIDE-GAS MAGNESIUM-SULFIDE MAGNESIUM-SELENIDE MAGNESIUM-SELENITE MAGNESIUM-METASILICATE MAGNESIUM-METASILICATE:SOL-1 MAGNESIUM-METASILICATE:SOL-2 MAGNESIUM-METASILICATE:SOL-3 MAGNESIUM-SULFATE MAGNESIUM-TELLURIDE MAGNESIUM-DITITANIUM-PENTOXIDE MAGNESIUM-TITANIUM-TRIOXIDE MAGNESIUM-TUNGSTATE

Alias

Name

MN MN15C4 MN2O3 MN2P MN2SB MN2SB:1 MN2SB:2

MANGANESE 15-MANGANESE-4-CARBID DIMANGANESE-TRIOXIDE DIMANGANESE-PHOSPHIDE 2-MANGANESE-ANTIMONY 2-MANGANESE-ANTIMONY:SOL-1 2-MANGANESE-ANTIMONY:SOL-2

Databanks • 1-145

Alias

Name

MN2SIO4 MN2TIO4 MN3(ASO4)2 MN3C MN3O4 MN3O4:A MN3O4:B MN3SI MN3SI:1 MN3SI:2 MN4N MN5N2 MN5SI3 MN7C3 MN:A MN:B MN:C MN:D MNAL2O4

TEPHROITE DIMANGANESE-TITANIUM-TETRAOXIDE MANGANESE-ARSENATE TRIMANGANESE-CARBIDE TRIMANGANESE-TETRAOXIDE TRIMANGANESE-TETRAOXIDE:SOL-A TRIMANGANESE-TETRAOXIDE:SOL-B 3-MANGANESE-SILICON 3-MANGANESE-SILICON:SOL-1 3-MANGANESE-SILICON:SOL-2 TETRAMANGANESE-MONONITRIDE PENTAMANGANESE-DINITRIDE 5-MANGANESE-3-SILICON HEPTAMANGANESE-TRICARBIDE MANGANESE:SOL-A MANGANESE:SOL-B MANGANESE:SOL-C MANGANESE:SOL-D MANGANESE-DIALUMINIUMTETRAOXIDE MANGANESE-ARSENIDE MANGANESE-ARSENIDE:SOL-1 MANGANESE-ARSENIDE:SOL-2 MANGANESE-ARSENIDE:SOL-3 MANGANESE-MONOBORIDE MANGANESE-DIBORIDE MANGANESE-DIBROMIDE MANGANESE-DICHLORIDE MANGANESE-CARBONATE MANGANESE-DIFLUORIDE MANGANESE-DIFLUORIDE:SOL-A MANGANESE-DIFLUORIDE:SOL-B MANGANESE-TRIFLUORIDE MANGANESE-DIIODIDE MANGANESE-MOLYBDATE MANGANESE-OXIDE MANGANESE-DIOXIDE MANGANESE-MONOPHOSPHIDE MANGANESE-TRIPHOSPHIDE MANGANESE-MONOSULFIDE-GREEN MANGANESE-DISULFIDE MANGANESE-ANTIMONY MANGANESE-SELENIDE MANGANESE-SILICON MANGANESE-1.7-SILICON RHODONITE MANGANESE-2-TIN

MNAS MNAS:1 MNAS:2 MNAS:3 MNB MNB2 MNBR2 MNCL2 MNCO3 MNF2 MNF2:A MNF2:B MNF3 MNI2 MNMOO4 MNO MNO2 MNP MNP3 MNS MNS2 MNSB MNSE MNSI MNSI1.7 MNSIO3 MNSN2

1-146 • Databanks

Physical Property Data 11.1

Alias

Name

MNSO4 MNTE MNTE2 MNTE:A MNTE:B MNTIO3 MNWO4

MANGANESE-SULFATE MANGANESE-TELLURIDE MANGANESE-DITELLURIDE MANGANESE-TELLURIDE:SOL-A MANGANESE-TELLURIDE:SOL-B MANGANESE-TITANIUM-TRIOXIDE MANGANESE-TUNGSTATE

INORGANIC Component Databank: Mo

Alias

Name

MO MO(CO)6 MO2C MO2N MO2S3 MO3SI MO5SI3 MOASO4 MOC MOO MOO2 MOO2CL2 MOO3 MOS2 MOS3 MOSI2

MOLYBDENUM MOLYBDENUM-HEXACARBONYL DIMOLYBDENUM-CARBIDE DIMOLYBDENUM-NITRIDE MOLYBDENUM-SESQUISULFIDE 3-MOLYBDENUM-SILICON 5-MOLYBDENUM-3-SILICON MOLYBDENUM-ARSENATE MOLYBDENUM-MONOCARBIDE-GAMMA MOLYBDENUM-MONOXIDE-GAS MOLYBDENUM-DIOXIDE MOLYBDENUM-DICHLORIDE-DIOXIDE MOLYBDENUM-TRIOXIDE MOLYBDENUM-DISULFIDE MOLYBDENUM-TRISULFIDE MOLYBDENUM-2-SILICON

INORGANIC Component Databank: N

Alias

Name

N N-D 1/2-N2 N2 N2O N2O3 N2O5 NCO ND3 ND2 NH NH2 NH4CL NH4CL:1 NH4CL:2 NH4CLO4 NH4I (NH4)2SO4 NO NO2

NITROGEN-MONATOMIC-GAS IMIDOGEN-D1-GAS 1/2-NITROGEN NITROGEN NITROUS-OXIDE NITROGEN-TRIOXIDE NITROGEN-PENTOXIDE NCO-RADICAL-GAS AMMONIA-D3-GAS AMIDOGEN-D2-GAS IMIDOGEN-GAS AMIDOGEN-GAS AMMONIUM-CHLORIDE AMMONIUM-CHLORIDE:SOL-1 AMMONIUM-CHLORIDE:SOL-2 AMMONIUM-PERCHLORATE AMMONIUM-IODIDE AMMONIUM-SULFATE NITRIC-OXIDE NITROGEN-DIOXIDE

Physical Property Data 11.1

Databanks • 1-147

INORGANIC Component Databank: Na

1-148 • Databanks

Alias

Name

NO2CL NO3 NOBR NOCL-G NOF

NITRYL-CHLORIDE-GAS NITROGEN-TRIOXIDE-GAS NITROSYL-BROMIDE-GAS NITROSYL-CHLORIDE-GAS NITROSYL-FLUORIDE-GAS

Alias

Name

NA NA2 NA2(CN)2 NA2(OH)2 NA2B4O7 NA2BR2 NA2CL2 NA2CO3 NA2CO3:1 NA2CO3:2 NA2CRO4 NA2CRO4:A NA2CRO4:B NA2F2 NA2MOO4 NA2MOO4:A NA2MOO4:B NA2MOO4:C NA2MOO4:D NA2O NA2O2 NA2O2:A NA2O2:B NA2O:A NA2O:B NA2O:C NA2S NA2S2 NA2S3 NA2S4 NA2S:1 NA2S:2 NA2SI2O5 NA2SI2O5:A NA2SI2O5:B NA2SI2O5:C NA2SIO3 NA2SO3 NA2SO4 NA2SO4-III

SODIUM SODIUM-DIATOMIC-GAS DISODIUM-DICYANIDE-GAS DISODIUM-DIHYDROXIDE-GAS DISODIUM-TETRABORATE DISODIUM-DIBROMIDE-GAS DISODIUM-DICHLORIDE-GAS SODIUM-CARBONATE SODIUM-CARBONATE:SOL-1 SODIUM-CARBONATE:SOL-2 SODIUM-CHROMATE SODIUM-CHROMATE:SOL-A SODIUM-CHROMATE:SOL-B DISODIUM-DIFLUORIDE-GAS SODIUM-MOLYBDATE SODIUM-MOLYBDATE:SOL-A SODIUM-MOLYBDATE:SOL-B SODIUM-MOLYBDATE:SOL-C SODIUM-MOLYBDATE:SOL-D SODIUM-OXIDE SODIUM-PEROXIDE DISODIUM-PEROXIDE:SOL-A DISODIUM-PEROXIDE:SOL-B SODIUM-OXIDE:SOL-A SODIUM-OXIDE:SOL-B SODIUM-OXIDE:SOL-C SODIUM-SULFIDE DISODIUM-DISULFIDE DISODIUM-TRISULFIDE DISODIUM-TETRASULFIDE SODIUM-SULFIDE:SOL-1 SODIUM-SULFIDE:SOL-2 SODIUM-DISILICATE SODIUM-DISILICATE:SOL-A SODIUM-DISILICATE:SOL-B SODIUM-DISILICATE:SOL-C SODIUM-SILICATE SODIUM-SULFITE SODIUM-SULFATE SODIUM-SULFATE-III

Physical Property Data 11.1

Physical Property Data 11.1

Alias

Name

NA2SO4:1 NA2SO4:4 NA2SO4:5 NA2TE NA2TI2O5 NA2TI3O7 NA2TIO3 NA2TIO3:A NA2TIO3:B NA2WO4 NA2WO4:1 NA2WO4:2 NA3ALCL6 NA3ALF6 NA3ALF6:A NA3ALF6:B NA3ALF6:C NA3AS NA3ASO4 NA3PO4 NA3VO4 NA4SIO4 NA4V2O7 NA6SI2O7 NAALCL4 NAALO2 NAALO2:A NAALO2:B NAALSI2O6 NAALSI2O6-D NAALSI3O8 NAALSI3O8-A NAALSIO4 NAALSIO4:A NAALSIO4:B NAALSIO4:C NAB3O5 NABO2 NABR NACL NACLO4 NACLO4:A NACLO4:B NACN NAF NAH NAHCO3

SODIUM-SULFATE:SOL-1 SODIUM-SULFATE:SOL-4 SODIUM-SULFATE:SOL-5 DISODIUM-TELLURIDE DISODIUM-DITITANIUM-PENTAOXIDE DISODIUM-TRITITANIUM-HEPTAOXIDE DISODIUM-TITANIUM-TRIOXIDE DISODIUM-TITANIUM-TRIOXIDE:SOL-A DISODIUM-TITANIUM-TRIOXIDE:SOL-B SODIUM-TUNGSTATE SODIUM-TUNGSTATE:SOL-1 SODIUM-TUNGSTATE:SOL-2 TRISODIUM-HEXACHLOROALUMINATE CRYOLITE CRYOLITE:SOL-A CRYOLITE:SOL-B CRYOLITE:SOL-C TRISODIUM-ARSENIDE SODIUM-ARSENATE TRISODIUM-PHOSPHATE SODIUM-ORTHOVANADATE SODIUM-ORTHOSILICATE SODIUM-PYROVANADATE HEXASODIUM-DISILICON-HEPTAOXIDE SODIUM-TETRACHLOROALUMINATE SODIUM-ALUMINATE SODIUM-ALUMINATE:SOL-A SODIUM-ALUMINATE:SOL-B JADEITE DEHYDRATED-ANALCITE ALBITE ANALBITE NEPHELINE NEPHELINE:SOL-A NEPHELINE:SOL-B NEPHELINE:SOL-C SODIUM-TRIBORATE SODIUM-METABORATE SODIUM-BROMIDE SODIUM-CHLORIDE SODIUM-PERCHLORATE SODIUM-PERCHLORATE:SOL-A SODIUM-PERCHLORATE:SOL-B SODIUM-CYANIDE SODIUM-FLUORIDE SODIUM-HYDRIDE SODIUM-BICARBONATE

Databanks • 1-149

INORGANIC Component Databank: Nb

1-150 • Databanks

Alias

Name

NAI NANO2 NANO3 NANO3:1 NANO3:2 NAO NAO2 NAOH NAOH:A NAOH:B NATE NATE3 NAVO3 NAVO3:1 NAVO3:2

SODIUM-IODIDE SODIUM-NITRITE SODIUM-NITRATE SODIUM-NITRATE:SOL-1 SODIUM-NITRATE:SOL-2 SODIUM-MONOXIDE-GAS SODIUM-SUPEROXIDE SODIUM-HYDROXIDE SODIUM-HYDROXIDE:SOL-A SODIUM-HYDROXIDE:SOL-B SODIUM-TELLURIDE SODIUM-TRITELLURIDE SODIUM-METAVANADATE SODIUM-METAVANADATE:SOL-1 SODIUM-METAVANADATE:SOL-2

Alias

Name

NB NB2C NB2N NB2O5 NB5SI3 NBB2 NBBR5 NBC NBC0.702 NBC0.825 NBCL2 NBCL2.33 NBCL2.67 NBCL3 NBCL3.13 NBCL4 NBCL5 NBF5 NBFE2 NBI5 NBN NBN:A NBN:B NBO NBO2 NBO2:A NBO2:B NBO2:C NBO2CL NBOCL2

NIOBIUM DINIOBIUM-CARBIDE DINIOBIUM-NITRIDE DINIOBIUM-PENTAOXIDE 5-NIOBIUM-3-SILICON NIOBIUM-DIBORIDE NIOBIUM-PENTABROMIDE NIOBIUM-CARBIDE NIOBIUM-0.702-CARBIDE NIOBIUM-0.825-CARBIDE NIOBIUM-DICHLORIDE NIOBIUM-2.33-CHLORIDE NIOBIUM-2.67-CHLORIDE NIOBIUM-TRICHLORIDE NIOBIUM-3.13-CHLORIDE NIOBIUM-TETRACHLORIDE NIOBIUM-PENTACHLORIDE NIOBIUM-PENTAFLUORIDE NIOBIUM-2-IRON NIOBIUM-PENTAIODIDE NIOBIUM-NITRIDE NIOBIUM-NITRIDE:SOL-A NIOBIUM-NITRIDE:SOL-B NIOBIUM-MONOXIDE NIOBIUM-DIOXIDE NIOBIUM-DIOXIDE:SOL-A NIOBIUM-DIOXIDE:SOL-B NIOBIUM-DIOXIDE:SOL-C NIOBIUM-CHLORIDE-DIOXIDE NIOBIUM-DICHLORIDE-OXIDE

Physical Property Data 11.1

Alias

Name

NBOCL3 NBSI2

NIOBIUM-TRICHLORIDE-OXIDE NIOBIUM-2-SILICON

INORGANIC Component Databank: Nd

Alias

Name

ND ND2(SO4)3 ND2O3 ND2O3:A ND2O3:B ND2S3 ND2SE3 ND2TE3 ND2ZR2O7 ND:A ND:B NDBR3 NDCL3 NDF3 NDH2 NDI3 NDI3:A NDI3:B NDOCL NDS NDSE NDTE

NEODYMIUM NEODYMIUM-SULFATE NEODYMIUM-OXIDE NEODYMIUM-OXIDE:SOL-A NEODYMIUM-OXIDE:SOL-B NEODYMIUM-SULFIDE NEODYMIUM-SELENIDE NEODYMIUM-TELLURIDE NEODYMIUM-ZIRCONIUM-HEPTAOXIDE NEODYMIUM:SOL-A NEODYMIUM:SOL-B NEODYMIUM-BROMIDE NEODYMIUM-CHLORIDE NEODYMIUM-FLUORIDE NEODYMIUM-DIHYDRIDE NEODYMIUM-IODIDE NEODYMIUM-IODIDE:SOL-A NEODYMIUM-IODIDE:SOL-B NEODYMIUM-CHLORIDE-OXIDE NEODYMIUM-MONOSULFIDE NEODYMIUM-MONOSELENIDE NEODYMIUM-MONOTELLURIDE

INORGANIC Component Databank: Ni

Alias

Name

NI NI(CO)4 NI11AS8 NI2P NI2SIO4 NI3(ASO4)2 NI3C NI3P NI3S2 NI3S2:1 NI3S2:2 NI3S4 NI3SN NI3SN2 NI3TI NI4B3 NI5AS2 NI5P2 NI7SI13

NICKEL NICKEL-TETRACARBONYL-GAS 11-NICKEL-8-ARSENIDE DINICKEL-PHOSPHIDE DINICKEL-ORTHOSILICATE NICKEL-ARSENATE TRINICKEL-CARBIDE TRINICKEL-PHOSPHIDE TRINICKEL-DISULFIDE TRINICKEL-DISULFIDE:SOL-1 TRINICKEL-DISULFIDE:SOL-2 TRINICKEL-TETRASULFIDE 3-NICKEL-TIN 3-NICKEL-2-TIN 3-NICKEL-TITANIUM TETRANICKEL-TRIBORIDE 5-NICKEL-2-ARSENIDE PENTANICKEL-DIPHOSPHIDE 7-NICKEL-13-SILICON

Physical Property Data 11.1

Databanks • 1-151

INORGANIC Component Databank: Np

1-152 • Databanks

Alias

Name

NIAL2O4 NIAS NIB NIBR NIBR2 NICL NICL2 NICO3 NIF NIF2 NII NII2 NIO NIO:A NIO:B NIO:C NIS NIS0.84 NIS2 NIS:A NIS:B NISB NISE1.05 NISE1.143 NISE1.25 NISE1.25:A NISE1.25:B NISE1.25:C NISE2 NISEO3 NISI NISO4 NITE1.1 NITI NITI2 NITIO3 NIWO4

NICKEL-DIALUMINIUM-TETRAOXIDE NICKEL-ARSENIDE NICKEL-MONOBORIDE NICKEL-MONOBROMIDE-GAS NICKEL-BROMIDE NICKEL-MONOCHLORIDE-GAS NICKEL-CHLORIDE NICKEL-CARBONATE NICKEL-MONOFLUORIDE-GAS NICKEL-FLUORIDE NICKEL-MONOIODIDE-GAS NICKEL-IODIDE NICKEL-OXIDE NICKEL-OXIDE:SOL-A NICKEL-OXIDE:SOL-B NICKEL-OXIDE:SOL-C NICKEL-SULFIDE NICKEL-0.84-SULFIDE NICKEL-DISULFIDE NICKEL-SULFIDE:SOL-A NICKEL-SULFIDE:SOL-B NICKEL-ANTIMONY NICKEL-1.05-SELENIDE NICKEL-1.143-SELENIDE NICKEL-1.25-SELENIDE NICKEL-1.25-SELENIDE:SOL-A NICKEL-1.25-SELENIDE:SOL-B NICKEL-1.25-SELENIDE:SOL-C NICKEL-DISELENIDE NICKEL-SELENITE NICKEL-SILICON NICKEL-SULFATE NICKEL-1.1-TELLURIDE NICKEL-TITANIUM NICKEL-2-TITANIUM NICKEL-TITANIUM-TRIOXIDE NICKEL-TUNGSTATE

Alias

Name

NP NP:A NP:B NP:C NPCL3 NPCL4 NPF3 NPF6

NEPTUNIUM NEPTUNIUM:SOL-A NEPTUNIUM:SOL-B NEPTUNIUM:SOL-C NEPTUNIUM-TRICHLORIDE NEPTUNIUM-TETRACHLORIDE NEPTUNIUM-TRIFLUORIDE NEPTUNIUM-HEXAFLUORIDE

Physical Property Data 11.1

Alias

Name

NPO2 NPO3*H2O NPOCL2

NEPTUNIUM-DIOXIDE NEPTUNIUM-TRIOXIDE-HYDRATE NEPTUNIUM-DICHLORIDE-OXIDE

INORGANIC Component Databank: O

Alias

Name

O 1/2-O2 O2 O2S O3 O3S OD OF2 OH

OXYGEN-MONATOMIC-GAS 1/2-OXYGEN OXYGEN SULFUR-DIOXIDE OZONE SULFUR-TRIOXIDE HYDROXYL-D1-GAS OXYGEN-DIFLUORIDE-GAS HYDROXYL-GAS

INORGANIC Component Databank: Os

Alias

Name

OS OSO2 OSO4-Y OSP2 OSS2 OSSE2

OSMIUM OSMIUM-DIOXIDE OSMIUM-TETRAOXIDE-YELLOW OSMIUM-DIPHOSPHIDE OSMIUM-DISULFIDE OSMIUM-DISELENIDE

INORGANIC Component Databank: P

Alias

Name

1/2-P2 1/4-P4 P-O P-R P-W P2 P2O5-L P4 P4O10 P4O6 P4S10 P4S3 P4S3:A P4S3:B P4S5 P4S6 P4S7 PBR3 PCL3-G PCL5-G PF3 PF5 PH3 PI3

1/2-PHOSPHORUS-P2 1/4-PHOSPHORUS-P4 PHOSPHORUS-MONOXIDE-GAS PHOSPHORUS-RED PHOSPHORUS-WHITE PHOSPHORUS-DIATOMIC-GAS DIPHOSPHORUS-PENTAOXIDE-LIQID PHOSPHORUS-4-ATOMIC-GAS TETRAPHOSPHORUS-DECAOXIDE TETRAPHOSPHORUS-HEXAOXIDE-GAS PHOSPHORUS-PENTASULFIDE TETRAPHOSPHORUS-TRISULFIDE TETRAPHOSPHORUS-TRISULFIDE:SOL-A TETRAPHOSPHORUS-TRISULFIDE:SOL-B TETRAPHOSPHORUS-PENTASULFIDE TETRAPHOSPHORUS-HEXASULFIDE TETRAPHOSPHORUS-HEPTASULFIDE PHOSPHORUS-TRIBROMIDE-GAS PHOSPHORUS-TRICHLORIDE-GAS PHOSPHORUS-PENTACHLORIDE-GAS PHOSPHORUS-TRIFLUORIDE-GAS PHOSPHORUS-PENTAFLUORIDE-GAS PHOSPHINE PHOSPHORUS-TRIIODIDE-GAS

Physical Property Data 11.1

Databanks • 1-153

INORGANIC Component Databank: Pb

1-154 • Databanks

Alias

Name

PN PO2 POBR3 POCL3 PS

PHOSPHORUS-MONONITRIDE-GAS PHOSPHORUS-DIOXIDE-GAS PHOSPHORUS-TRIBROMIDE-OXIDE-GAS PHOSPHORUS-OXYCHLORIDE PHOSPHORUS-MONOSULFIDE-GAS

Alias

Name

PB PB2 PB2I4 PB2SIO4 PB3(ASO4)2 PB3O4 PB4SIO6 PBB2O4 PBB4O7 PBBR PBBR2 PBBR4 PBCL PBCL2 PBCL4 PBCO3 PBF PBF2 PBF2:A PBF2:B PBF4 PBH PBI PBI2 PBI4 PBMOO4 PBO*PBCO3 PBO*PBSO4 2PBO*PBSO4 3PBO*PBSO4 4PBO*PBSO4 PBO-R PBO-Y PBO2 PBS PBSE PBSEO3 PBSEO4 PBSIO3 PBSO4

LEAD LEAD-DIATOMIC-GAS DILEAD-TETRAIODIDE-GAS DILEAD-ORTHOSILICATE LEAD-ARSENATE TRILEAD-TETRAOXIDE TETRALEAD-SILICATE LEAD-DIBORATE LEAD-TETRABORATE LEAD-MONOBROMIDE-GAS LEAD-DIBROMIDE LEAD-TETRABROMIDE-GAS LEAD-MONOCHLORIDE-GAS LEAD-DICHLORIDE LEAD-TETRACHLORIDE-GAS LEAD-CARBONATE LEAD-MONOFLUORIDE-GAS LEAD-DIFLUORIDE LEAD-DIFLUORIDE:SOL-A LEAD-DIFLUORIDE:SOL-B LEAD-TETRAFLUORIDE-GAS LEAD-MONOHYDRIDE-GAS LEAD-MONOIODIDE-GAS LEAD-DIIODIDE LEAD-TETRAIODIDE-GAS LEAD-MOLYBDATE DILEAD-OXIDE-CARBONATE DILEAD-OXIDE-SULFATE TRILEAD-DIOXIDE-SULFATE TETRALEAD-TRIOXIDE-SULFATE PENTALEAD-TETRAOXIDE-SULFATE LEAD-OXIDE-RED LEAD-OXIDE-YELLOW-MASSICOT LEAD-DIOXIDE LEAD-SULFIDE LEAD-SELENIDE LEAD-SELENITE LEAD-SELENATE LEAD-METASILICATE LEAD-SULFATE

Physical Property Data 11.1

Alias

Name

PBSO4:A PBSO4:B PBTE PBTIO3 PBTIO3:A PBTIO3:B PBWO4

LEAD-SULFATE:SOL-A LEAD-SULFATE:SOL-B LEAD-TELLURIDE LEAD-TITANIUM-TRIOXIDE LEAD-TITANIUM-TRIOXIDE:SOL-A LEAD-TITANIUM-TRIOXIDE:SOL-B LEAD-TUNGSTATE

INORGANIC Component Databank: Pd

Alias

Name

PD PD4S PDCL2 PDF2 PDI2 PDI2:A PDI2:B PDO PDS PDS2 PDTE

PALLADIUM TETRAPALLADIUM-SULFIDE PALLADIUM-CHLORIDE PALLADIUM-FLUORIDE PALLADIUM-IODIDE PALLADIUM-IODIDE:SOL-A PALLADIUM-IODIDE:SOL-B PALLADIUM-OXIDE PALLADIUM-SULFIDE PALLADIUM-DISULFIDE PALLADIUM-TELLURIDE

INORGANIC Component Databank: Pr

Alias

Name

PR PR2O3 PR3S4 PR7O12 PR:A PR:B PRBR3 PRCL3 PRF3 PRH2 PRI3 PRO1.833 PRO1.833:A PRO1.833:B PRO2 PRS

PRASEODYMIUM PRASEODYMIUM-OXIDE TRIPRASEODYMIUM-TETRASULFIDE 7-PRASEODYMIUM-12-OXIDE PRASEODYMIUM:SOL-A PRASEODYMIUM:SOL-B PRASEODYMIUM-BROMIDE PRASEODYMIUM-CHLORIDE PRASEODYMIUM-FLUORIDE PRASEODYMIUM-DIHYDRIDE PRASEODYMIUM-IODIDE PRASEODYMIUM-1.833-OXIDE PRASEODYMIUM-1.833-OXIDE:SOL-A PRASEODYMIUM-1.833-OXIDE:SOL-B PRASEODYMIUM-DIOXIDE PRASEODYMIUM-MONOSULFIDE

INORGANIC Component Databank: Pt

Alias

Name

PT PT5SE4 PTBR2 PTBR3 PTBR4 PTCL2 PTCL3 PTCL4

PLATINUM PENTAPLATINUM-TETRASELENIDE PLATINUM-DIBROMIDE PLATINUM-TRIBROMIDE PLATINUM-TETRABROMIDE PLATINUM-DICHLORIDE PLATINUM-TRICHLORIDE PLATINUM-TETRACHLORIDE

Physical Property Data 11.1

Databanks • 1-155

Alias

Name

PTI4 PTO2 PTS PTS2

PLATINUM-TETRAIODIDE PLATINUM-DIOXIDE-GAS PLATINUM-MONOSULFIDE PLATINUM-DISULFIDE

INORGANIC Component Databank: Pu

Alias

Name

PU PU(SO4)2 PU2C3 PU2O3 PU2O3-B PU2S3 PU:A PU:B PU:C PU:D PU:D1 PU:E PUBR3 PUC0.88 PUC2 PUCL3 PUF3 PUF4 PUF6 PUH2 PUH3 PUI3 PUN PUO PUO2 PUOBR PUOCL PUOF PUOI PUS

PLUTONIUM PLUTONIUM-DISULFATE DIPLUTONIUM-TRICARBIDE DIPLUTONIUM-TRIOXIDE-ALPHA DIPLUTONIUM-TRIOXIDE-BETA DIPLUTONIUM-TRISULFIDE PLUTONIUM:SOL-A PLUTONIUM:SOL-B PLUTONIUM:SOL-C PLUTONIUM:SOL-D PLUTONIUM:S.-D1 PLUTONIUM:SOL-E PLUTONIUM-TRIBROMIDE PLUTONIUM-0.88-CARBIDE PLUTONIUM-DICARBIDE PLUTONIUM-TRICHLORIDE PLUTONIUM-TRIFLUORIDE PLUTONIUM-TETRAFLUORIDE PLUTONIUM-HEXAFLUORIDE PLUTONIUM-DIHYDRIDE PLUTONIUM-TRIHYDRIDE PLUTONIUM-TRIIODIDE PLUTONIUM-NITRIDE PLUTONIUM-OXIDE PLUTONIUM-DIOXIDE PLUTONIUM-BROMIDE-OXIDE PLUTONIUM-CHLORIDE-OXIDE PLUTONIUM-FLUORIDE-OXIDE PLUTONIUM-IODIDE-OXIDE PLUTONIUM-MONOSULFIDE

INORGANIC Component Databank: Rb

Alias

Name

RB RB2 RB2CL2 RB2CO3 RB2CO3:1 RB2CO3:2 RB2F2 RB2O RB2O:A

RUBIDIUM RUBIDIUM-DIATOMIC-GAS DIRUBIDIUM-DICHLORIDE-GAS RUBIDIUM-CARBONATE RUBIDIUM-CARBONATE:SOL-1 RUBIDIUM-CARBONATE:SOL-2 DIRUBIDIUM-DIFLUORIDE-GAS RUBIDIUM-OXIDE RUBIDIUM-OXIDE:SOL-A

1-156 • Databanks

Physical Property Data 11.1

Alias

Name

RB2O:B RB2O:C RB2SI2O5 RB2SI4O9 RB2SIO3 RB2SO4 RB2SO4:A RB2SO4:B RB3ASO4 RBBR RBCL RBF RBI RBO2

RUBIDIUM-OXIDE:SOL-B RUBIDIUM-OXIDE:SOL-C RUBIDIUM-DISILICATE RUBIDIUM-TETRASILICATE RUBIDIUM-METASILICATE RUBIDIUM-SULFATE RUBIDIUM-SULFATE:SOL-A RUBIDIUM-SULFATE:SOL-B RUBIDIUM-ARSENATE RUBIDIUM-BROMIDE RUBIDIUM-CHLORIDE RUBIDIUM-FLUORIDE RUBIDIUM-IODIDE RUBIDIUM-PEROXIDE

INORGANIC Component Databank: Re

Alias

Name

RE RE2O7 RE2O7:A RE2O7:B RE2S7 RE2TE5 RE2Y RE3AS7 RE5SI3 REASO4 REBR3 RECL3 REO2 REO3 RES2 RESI RESI2

RHENIUM DIRHENIUM-HEPTAOXIDE DIRHENIUM-HEPTAOXIDE:SOL-A DIRHENIUM-HEPTAOXIDE:SOL-B DIRHENIUM-HEPTASULFIDE DIRHENIUM-PENTATELLURIDE 2-RHENIUM-YTTRIUM TRIRHENIUM-HEPTAARSENIDE 5-RHENIUM-3-SILICON RHENIUM-ARSENATE RHENIUM-TRIBROMIDE RHENIUM-TRICHLORIDE RHENIUM-DIOXIDE RHENIUM-TRIOXIDE RHENIUM-DISULFIDE RHENIUM-SILICON RHENIUM-2-SILICON

INORGANIC Component Databank: Rh

Alias

Name

RH RH2O3 RH3U RHCL2 RHCL3 RHO2

RHODIUM DIRHODIUM-TRIOXIDE 3-RHODIUM-URANIUM RHODIUM-DICHLORIDE-GAS RHODIUM-TRICHLORIDE RHODIUM-DIOXIDE-GAS

INORGANIC Component Databank: Ru

Alias

Name

RU RU3U RUCL3 RUCL4 RUF5

RUTHENIUM 3-RUTHENIUM-URANIUM RUTHENIUM-TRICHLORIDE RUTHENIUM-TETRACHLORIDE-GAS RUTHENIUM-PENTAFLUORIDE

Physical Property Data 11.1

Databanks • 1-157

Alias

Name

RUO2 RUO3 RUO4-G RUS2 RUSE2

RUTHENIUM-DIOXIDE RUTHENIUM-TRIOXIDE-GAS RUTHENIUM-TETROXIDE-GAS RUTHENIUM-DISULFIDE RUTHENIUM-DISELENIDE

INORGANIC Component Databank: S

Alias

Name

S S-N 1/2-S2 S2 S2BR2 S2CL S2CL2 S2F10 S2O S3 S4 S5 S6 S7 S8 S:MO S:RH SCL SCL2-G SF SF2 SF3 SF4 SF5 SF6-G SO SO2CL2-G SO2F2 SOCL2-G SOF2 SSF2

SULFUR SULFUR-MONONITRIDE-GAS 1/2-SULFUR-S2 SULFUR-DIATOMIC-GAS DISULFUR-DIBROMIDE-GAS DISULFUR-CHLORIDE-RADICAL-GAS DISULFUR-DICHLORIDE DISULFUR-DECAFLUORIDE-GAS DISULFUR-OXIDE-GAS SULFUR-TRIATOMIC-GAS SULFUR-4-ATOMIC-GAS SULFUR-5-ATOMIC-GAS SULFUR-6-ATOMIC-GAS SULFUR-7-ATOMIC-GAS SULFUR-8-ATOMIC-GAS SULFUR-RHOMBIC-MONOCLINIC:S.MO SULFUR-RHOMBIC-MONOCLINIC:S.RH SULFUR-MONOCHLORIDE-GAS SULFUR-DICHLORIDE-GAS SULFUR-MONOFLUORIDE-GAS SULFUR-DIFLUORIDE-GAS SULFUR-TRIFLUORIDE-GAS SULFUR-TETRAFLUORIDE-GAS SULFUR-PENTAFLUORIDE-GAS SULFUR-HEXAFLUORIDE-GAS SULFUR-MONOXIDE-GAS SULFONYL-DICHLORIDE-GAS SULFONYL-DIFLUORIDE-GAS SULFINYL-DICHLORIDE-GAS SULFINYL-DIFLUORIDE-GAS SULFINOTHIOYL-DIFLUORIDE-GAS

INORGANIC Component Databank: Sb

Alias

Name

SB SB2 SB2(SO4)3 SB2O3 SB2O3-O

ANTIMONY ANTIMONY-DIATOMIC-GAS DIANTIMONY-TRISULFATE DIANTIMONY-TRIOXIDE-CUBIC DIANTIMONY-TRIOXIDEORTHORHOMBIC DIANTIMONY-TRIOXIDE-CUBIC:SOL-A DIANTIMONY-TRIOXIDE-CUBIC:SOL-B

SB2O3:A SB2O3:B

1-158 • Databanks

Physical Property Data 11.1

Alias

Name

SB2O4 SB2O5 SB2S3 SB2S4 SB2SE3 SB2TE3 SB3S2 SB4 SB4O6 SB4S3 SBBR3 SBCL SBCL3 SBCL5 SBF SBF3 SBH3 SBI3 SBO SBOCL SBR2 SBS SBSE SBZN

DIANTIMONY-TETRAOXIDE DIANTIMONY-PENTAOXIDE DIANTIMONY-TRISULFIDE-BLACK DIANTIMONY-TETRASULFIDE-GAS DIANTIMONY-TRISELENIDE DIANTIMONY-TRITELLURIDE TRIANTIMONY-DISULFIDE-GAS ANTIMONY-4-ATOMIC-GAS TETRAANTIMONY-HEXAOXIDE-GAS TETRAANTIMONY-TRISULFIDE-GAS ANTIMONY-TRIBROMIDE ANTIMONY-MONOCHLORIDE-GAS ANTIMONY-TRICHLORIDE ANTIMONY-PENTACHLORIDE-GAS ANTIMONY-MONOFLUORIDE-GAS ANTIMONY-TRIFLUORIDE ANTIMONY-TRIHYDRIDE-GAS ANTIMONY-TRIIODIDE ANTIMONY-OXIDE-GAS ANTIMONY-CHLORIDE-OXIDE SULFUR-DIBROMIDE-GAS ANTIMONY-SULFIDE-GAS ANTIMONY-SELENIDE-GAS ANTIMONY-ZINC

INORGANIC Component Databank: Sc

Alias

Name

SC SC2O3 SC:A SC:B SCASO4 SCBR3 SCCL3 SCF3 SCN

SCANDIUM SCANDIUM-OXIDE SCANDIUM:SOL-A SCANDIUM:SOL-B SCANDIUM-ARSENATE SCANDIUM-BROMIDE SCANDIUM-CHLORIDE SCANDIUM-FLUORIDE SCANDIUM-NITRIDE

INORGANIC Component Databank: Se

Alias

Name

SE SE2 SE2BR2 SE2CL2 SE3 SE4 SE5 SE6 SE7 SE8

SELENIUM SELENIUM-DIATOMIC-GAS DISELENIUM-DIBROMIDE-GAS DISELENIUM-DICHLORIDE SELENIUM-TRIATOMIC-GAS SELENIUM-4-ATOMIC-GAS SELENIUM-5-ATOMIC-GAS SELENIUM-6-ATOMIC-GAS SELENIUM-7-ATOMIC-GAS SELENIUM-8-ATOMIC-GAS

Physical Property Data 11.1

Databanks • 1-159

INORGANIC Component Databank: Si

1-160 • Databanks

Alias

Name

SEBR2 SECL2 SECL4 SEF SEF2 SEF4 SEF5 SEF6 SEO SEO2

SELENIUM-DIBROMIDE-GAS SELENIUM-DICHLORIDE-GAS SELENIUM-TETRACHLORIDE SELENIUM-FLUORIDE-GAS SELENIUM-DIFLUORIDE-GAS SELENIUM-TETRAFLUORIDE-GAS SELENIUM-PENTAFLUORIDE-GAS SELENIUM-HEXAFLUORIDE-GAS SELENIUM-OXIDE-GAS SELENIUM-DIOXIDE

Alias

Name

SI SI2 SI2H6-G SI2TA SI2TH SI2TH3 SI2TI SI2U SI2U3 SI2V SI2W SI2ZR SI3 SI3N4 SI3TA5 SI3TI5 SI3U SI3V5 SI3W5 SI3ZR5 SI5TH3 SI5U3 SIBR SIBR2 SIBR3 SIBR4 SIC-C SICL SICL2 SICL3 SICL4-G SIF SIF2 SIF3 SIF4-G

SILICON SILICON-DIATOMIC-GAS DISILANE-GAS 2-SILICON-TANTALUM 2-SILICON-THORIUM 2-SILICON-3-THORIUM 2-SILICON-TITANIUM 2-SILICON-URANIUM 2-SILICON-3-URANIUM 2-SILICON-VANADIUM 2-SILICON-TUNGSTEN 2-SILICON-ZIRCONIUM SILICON-TRIATOMIC-GAS TRISILICON-TETRANITRIDE-ALPHA 3-SILICON-5-TANTALUM 3-SILICON-5-TITANIUM 3-SILICON-URANIUM 3-SILICON-5-VANADIUM 3-SILICON-5-TUNGSTEN 3-SILICON-5-ZIRCONIUM 5-SILICON-3-THORIUM 5-SILICON-3-URANIUM SILICON-MONOBROMIDE-GAS SILICON-DIBROMIDE-GAS SILICON-TRIBROMIDE-GAS SILICON-TETRABROMIDE SILICON-CARBIDE-CUBIC SILICON-CHLORIDE-GAS SILICON-DICHLORIDE-GAS SILICON-TRICHLORIDE-GAS SILICON-TETRACHLORIDE-GAS SILICON-FLUORIDE-GAS SILICON-DIFLUORIDE-GAS SILICON-TRIFLUORIDE-GAS SILICON-TETRAFLUORIDE-GAS

Physical Property Data 11.1

INORGANIC Component Databank: Sm

Physical Property Data 11.1

Alias

Name

SIH SIH4-G SII SII2 SII3 SII4 SIO SIO2 SIO2-CR SIO2:HC SIO2:HQ SIO2:LQ SIOF2 SIP SIS SIS2 SISE SITA2 SITH SITI SIU SIU3 SIV3 SIZR SIZR2

SILICON-HYDRIDE-GAS SILANE-GAS SILICON-IODIDE-GAS SILICON-DIIODIDE-GAS SILICON-TRIIODIDE-GAS SILICON-TETRAIODIDE SILICON-OXIDE-GAS SILICON-DIOXIDE SILICON-DIOXIDE-CRISTOBALITE SILICON-DIOXIDE:S-HC SILICON-DIOXIDE:S-HQ SILICON-DIOXIDE:S-LQ SILICON-DIFLUORIDE-OXIDE-GAS SILICON-PHOSPHIDE SILICON-SULFIDE-GAS SILICON-DISULFIDE SILICON-SELENIDE-GAS SILICON-2-TANTALUM SILICON-THORIUM SILICON-TITANIUM SILICON-URANIUM SILICON-3-URANIUM SILICON-3-VANADIUM SILICON-ZIRCONIUM SILICON-2-ZIRCONIUM

Alias

Name

SM SM2O3 SM2O3-M SM2O3-M:M1 SM2O3-M:M2 SM2ZR2O7 SM:A SM:B SMC2 SMC2:A SMC2:B SMCL2 SMCL3 SMOF SMOF:A SMOF:B

SAMARIUM DISAMARIUM-TRIOXIDE-CUBIC DISAMARIUM-TRIOXIDE-MONOCLINIC DISAMARIUM-3-OXIDE-MONOCLINIC:M1 DISAMARIUM-3-OXIDE-MONOCLINIC:M2 DISAMARIUM-DIZIRCONIUM-HEPTAOXID SAMARIUM:SOL-A SAMARIUM:SOL-B SAMARIUM-DICARBIDE SAMARIUM-DICARBIDE:SOL-A SAMARIUM-DICARBIDE:SOL-B SAMARIUM-DICHLORIDE SAMARIUM-TRICHLORIDE SAMARIUM-FLUORIDE-OXIDE SAMARIUM-FLUORIDE-OXIDE:SOL-A SAMARIUM-FLUORIDE-OXIDE:SOL-B

Databanks • 1-161

INORGANIC Component Databank: Sn

Alias

Name

SN SN(SO4)2 SN2I4 SN2S3 SN3(ASO4)2 SN3S4 SNBR2 SNBR4 SNCL SNCL2 SNCL4 SNF SNF2 SNH4 SNI2 SNI4 SNO SNO2 SNS SNS2 SNS:A SNS:B SNSE SNSE2 SNSO4 SNTE

TIN-WHITE TIN-DISULFATE DITIN-TETRAIODIDE-GAS DITIN-TRISULFIDE TRITIN-ARSENATE TRITIN-TETRASULFIDE TIN-DIBROMIDE TIN-TETRABROMIDE TIN-MONOCHLORIDE-GAS TIN-DICHLORIDE TIN-TETRACHLORIDE TIN-MONOFLUORIDE-GAS TIN-DIFLUORIDE TIN-TETRAHYDRIDE-GAS TIN-DIIODIDE TIN-TETRAIODIDE TIN-MONOXIDE TIN-DIOXIDE TIN-MONOSULFIDE TIN-DISULFIDE TIN-MONOSULFIDE:SOL-A TIN-MONOSULFIDE:SOL-B TIN-MONOSELENIDE TIN-DISELENIDE TIN-MONOSULFATE TIN-MONOTELLURIDE

INORGANIC Component Databank: Sr

Alias

Name

SR SR(OH)2 SR2SIO4 SR2TIO4 SR2TIO4:1 SR2TIO4:2 SR3(ASO4)2 SR3N2 SR4TI3O10 SR:A SR:C SRAL2O4 SRAL2O4:A SRAL2O4:B SRBR SRBR2 SRBR2:A SRBR2:B SRC2

STRONTIUM STRONTIUM-HYDROXIDE STRONTIUM-ORTHOSILICATE DISTRONTIUM-TITANIUM-TETRAOXIDE DISTRONTIUM-TITANIUM-4-OXIDE:S-1 DISTRONTIUM-TITANIUM-4-OXIDE:S-2 STRONTIUM-ARSENATE TRISTRONTIUM-DINITRIDE TETRASTRONTIUM-TRITITANIUM-DECAO STRONTIUM:SOL-A STRONTIUM:SOL-C STRONTIUM-DIALUMINIUM-TETRAOXIDE STRONTIUM-DIALUMINIUM-4-OXIDE:A STRONTIUM-DIALUMINIUM-4-OXIDE:B STRONTIUM-MONOBROMIDE-GAS STRONTIUM-BROMIDE STRONTIUM-BROMIDE:SOL-A STRONTIUM-BROMIDE:SOL-B STRONTIUM-DICARBIDE

1-162 • Databanks

Physical Property Data 11.1

INORGANIC Component Databank: Ta

Physical Property Data 11.1

Alias

Name

SRCL SRCL2 SRCO3 SRCO3:A SRCO3:B SRF2 SRF2:1 SRF2:2 SRF2:3 SRH2 SRI2 SRMOO4 SRO SRO2 SROH SRS SRSIO3 SRSO4 SRSO4:1 SRSO4:2 SRTIO3 SRWO4 SRZRO3

STRONTIUM-MONOCHLORIDE-GAS STRONTIUM-CHLORIDE STRONTIUM-CARBONATE STRONTIUM-CARBONATE:SOL-A STRONTIUM-CARBONATE:SOL-B STRONTIUM-FLUORIDE STRONTIUM-FLUORIDE:SOL-1 STRONTIUM-FLUORIDE:SOL-2 STRONTIUM-FLUORIDE:SOL-3 STRONTIUM-HYDRIDE STRONTIUM-IODIDE STRONTIUM-MOLYBDATE STRONTIUM-OXIDE STRONTIUM-PEROXIDE STRONTIUM-MONOHYDROXIDE-GAS STRONTIUM-SULFIDE STRONTIUM-METASILICATE STRONTIUM-SULFATE STRONTIUM-SULFATE:SOL-1 STRONTIUM-SULFATE:SOL-2 STRONTIUM-TITANIUM-TRIOXIDE STRONTIUM-TUNGSTATE STRONTIUM-ZIRCONIUM-TRIOXIDE

Alias

Name

TA TA2C TA2N TA2O5 TAB2 TABR5 TAC TACL TACL2 TACL2.5 TACL3 TACL4 TACL5 TAF5 TAI5 TAN TAO TAO2 TAO2CL TAOCL3 TAS TAS2

TANTALUM DITANTALUM-CARBIDE DITANTALUM-NITRIDE DITANTALUM-PENTOXIDE TANTALUM-DIBORIDE TANTALUM-PENTABROMIDE TANTALUM-MONOCARBIDE TANTALUM-MONOCHLORIDE-GAS TANTALUM-DICHLORIDE-GAS TANTALUM-2.5-CHLORIDE TANTALUM-TRICHLORIDE TANTALUM-TETRACHLORIDE TANTALUM-PENTACHLORIDE TANTALUM-PENTAFLUORIDE TANTALUM-PENTAIODIDE TANTALUM-MONONITRIDE TANTALUM-MONOXIDE-GAS TANTALUM-DIOXIDE-GAS TANTALUM-CHLORIDE-DIOXIDE TANTALUM-TRICHLORIDE-OXIDE TANTALUM-MONOSULFIDE-GAS TANTALUM-DISULFIDE

Databanks • 1-163

INORGANIC Component Databank: Tb

Alias

Name

TB TB2O3 TB:A TB:B TBBR3 TBCL3 TBCL3:A TBCL3:B TBO1.72 TBO1.81 TBO2 TBS TBSE TBTE

TERBIUM DITERBIUM-TRIOXIDE TERBIUM:SOL-A TERBIUM:SOL-B TERBIUM-TRIBROMIDE-GAS TERBIUM-TRICHLORIDE TERBIUM-TRICHLORIDE:SOL-A TERBIUM-TRICHLORIDE:SOL-B TERBIUM-1.72-OXIDE TERBIUM-1.81-OXIDE TERBIUM-DIOXIDE TERBIUM-SULFIDE-GAS TERBIUM-SELENIDE-GAS TERBIUM-TELLURIDE-GAS

INORGANIC Component Databank: Te

Alias

Name

TE TE2 TE2O2 TEBR4 TECL2 TECL4 TEF TEF2 TEF4 TEF5 TEF6 TEO TEO2

TELLURIUM TELLURIUM-DIATOMIC-GAS DITELLURIUM-DIOXIDE-GAS TELLURIUM-TETRABROMIDE TELLURIUM-DICHLORIDE-GAS TELLURIUM-TETRACHLORIDE TELLURIUM-MONOFLUORIDE-GAS TELLURIUM-DIFLUORIDE-GAS TELLURIUM-TETRAFLUORIDE-GAS TELLURIUM-PENTAFLUORIDE-GAS TELLURIUM-HEXAFLUORIDE-GAS TELLURIUM-MONOXIDE-GAS TELLURIUM-DIOXIDE

INORGANIC Component Databank: Th

Alias

Name

TH TH(SO4)2 TH2N2O TH2S3 TH3N4 TH3P4 TH:A TH:B THBR4 THBR4:A THBR4:B THC1.94 THC1.94:A THC1.94:B THC1.94:C THCL4

THORIUM THORIUM-DISULFATE DITHORIUM-DINITRIDE-MONOXIDE DITHORIUM-TRISULFIDE TRITHORIUM-TETRANITRIDE TRITHORIUM-TETRAPHOSPHIDE THORIUM:SOL-A THORIUM:SOL-B THORIUM-TETRABROMIDE THORIUM-TETRABROMIDE:SOL-A THORIUM-TETRABROMIDE:SOL-B THORIUM-1.94-CARBIDE THORIUM-1.94-CARBIDE:SOL-A THORIUM-1.94-CARBIDE:SOL-B THORIUM-1.94-CARBIDE:SOL-C THORIUM-TETRACHLORIDE

1-164 • Databanks

Physical Property Data 11.1

INORGANIC Component Databank: Ti

Physical Property Data 11.1

Alias

Name

THCL4:A THCL4:B THF2 THF3 THF4 THH2 THI4 THN THO THO2 THOBR2 THOCL2 THOF2 THOI2 THP THRE2 THS THS2

THORIUM-TETRACHLORIDE:SOL-A THORIUM-TETRACHLORIDE:SOL-B THORIUM-DIFLUORIDE-GAS THORIUM-TRIFLUORIDE-GAS THORIUM-TETRAFLUORIDE THORIUM-DIHYDRIDE THORIUM-TETRAIODIDE THORIUM-MONONITRIDE THORIUM-MONOXIDE-GAS THORIUM-DIOXIDE THORIUM-DIBROMIDE-OXIDE THORIUM-DICHLORIDE-OXIDE THORIUM-DIFLUORIDE-OXIDE THORIUM-DIIODIDE-OXIDE THORIUM-MONOPHOSPHIDE THORIUM-2-RHENIUM THORIUM-MONOSULFIDE THORIUM-DISULFIDE

Alias

Name

TI TI2O3 TI2O3:A TI2O3:B TI3(ASO4)2 TI3O5 TI3O5:A TI3O5:B TI4O7 TI:A TI:B TIB TIB2 TIBR TIBR2 TIBR3 TIBR4 TIC TICL TICL2 TICL3 TICL4 TIF TIF2 TIF3 TIF4 TIH2

TITANIUM DITITANIUM-TRIOXIDE DITITANIUM-TRIOXIDE:SOL-A DITITANIUM-TRIOXIDE:SOL-B TRITITANIUM-DIARSENATE TRITITANIUM-PENTOXIDE TRITITANIUM-PENTOXIDE:SOL-A TRITITANIUM-PENTOXIDE:SOL-B TETRATITANIUM-HEPTAOXIDE TITANIUM:SOL-A TITANIUM:SOL-B TITANIUM-MONOBORIDE TITANIUM-DIBORIDE TITANIUM-MONOBROMIDE-GAS TITANIUM-DIBROMIDE TITANIUM-TRIBROMIDE TITANIUM-TETRABROMIDE TITANIUM-MONOCARBIDE TITANIUM-MONOCHLORIDE-GAS TITANIUM-DICHLORIDE TITANIUM-TRICHLORIDE TITANIUM-TETRACHLORIDE TITANIUM-MONOFLUORIDE-GAS TITANIUM-DIFLUORIDE-GAS TITANIUM-TRIFLUORIDE TITANIUM-TETRAFLUORIDE TITANIUM-DIHYDRIDE

Databanks • 1-165

INORGANIC Component Databank: Tl

1-166 • Databanks

Alias

Name

TII TII2 TII3 TII4 TII4:A TII4:B TIN TIO TIO2 TIO2-A TIO:A TIO:B TIOCL TIOCL2 TIOF TIOF2 TIS TIS2 TIS2:A TIS2:B

TITANIUM-MONOIODIDE-GAS TITANIUM-DIIODIDE TITANIUM-TRIIODIDE TITANIUM-TETRAIODIDE TITANIUM-TETRAIODIDE:SOL-A TITANIUM-TETRAIODIDE:SOL-B TITANIUM-MONONITRIDE TITANIUM-MONOXIDE TITANIUM-DIOXIDE-RUTILE TITANIUM-DIOXIDE-ANATASE TITANIUM-MONOXIDE:SOL-A TITANIUM-MONOXIDE:SOL-B TITANIUM-CHLORIDE-OXIDE-GAS TITANIUM-DICHLORIDE-OXIDE-GAS TITANIUM-FLUORIDE-OXIDE-GAS TITANIUM-DIFLUORIDE-OXIDE-GAS TITANIUM-MONOSULFIDE TITANIUM-DISULFIDE TITANIUM-DISULFIDE:SOL-A TITANIUM-DISULFIDE:SOL-B

Alias

Name

TL TL2CL2 TL2F2 TL2O TL2O3 TL2S TL2SE TL2SO4 TL2SO4:A TL2SO4:B TL2TE TL:A TL:B TLASO4 TLBR TLCL TLCL3 TLF TLF:A TLF:B TLI TLI:A TLI:B TLSE TLSE:A

THALLIUM DITHALLIUM-DICHLORIDE-GAS DITHALLIUM-DIFLUORIDE-GAS THALLIUM-OXIDE DITHALLIUM-TRIOXIDE THALLIUM-SULFIDE DITHALLIUM-SELENIDE THALLIUM-SULFATE THALLIUM-SULFATE:SOL-A THALLIUM-SULFATE:SOL-B THALLIUM-TELLURIDE THALLIUM:SOL-A THALLIUM:SOL-B THALLIUM-ARSENATE THALLIUM-BROMIDE THALLIUM-CHLORIDE THALLIUM-TRICHLORIDE THALLIUM-FLUORIDE THALLIUM-FLUORIDE:SOL-A THALLIUM-FLUORIDE:SOL-B THALLIUM-IODIDE THALLIUM-IODIDE:SOL-A THALLIUM-IODIDE:SOL-B THALLIUM-SELENIDE THALLIUM-SELENIDE:SOL-A

Physical Property Data 11.1

Alias

Name

TLSE:B

THALLIUM-SELENIDE:SOL-B

INORGANIC Component Databank: Tm

Alias

Name

TM TM2O3 TM2O3:A TM2O3:B TMBR3 TMCL3 TMF3 TMF3:A TMF3:B TMI3

THULIUM DITHULIUM-TRIOXIDE DITHULIUM-TRIOXIDE:SOL-A DITHULIUM-TRIOXIDE:SOL-B THULIUM-TRIBROMIDE-GAS THULIUM-TRICHLORIDE THULIUM-TRIFLUORIDE THULIUM-TRIFLUORIDE:SOL-A THULIUM-TRIFLUORIDE:SOL-B THULIUM-TRIIODIDE-GAS

INORGANIC Component Databank: U

Alias

Name

U U(SO4)2 U2C3 U2S3 U3O8

URANIUM URANIUM-DISULFATE DIURANIUM-TRICARBIDE DIURANIUM-TRISULFIDE TRIURANIUM-OCTAOXIDEORTHORHOMBI TETRAURANIUM-NONAOXIDE TETRAURANIUM-NONAOXIDE:SOL-1 TETRAURANIUM-NONAOXIDE:SOL-2 TETRAURANIUM-NONAOXIDE:SOL-3 URANIUM:SOL-A URANIUM:SOL-B URANIUM:SOL-C URANIUM-DODECABORIDE URANIUM-DIBORIDE URANIUM-TETRABORIDE URANIUM-TRIBROMIDE URANIUM-TETRABROMIDE URANIUM-PENTABROMIDE URANIUM-MONOCARBIDE URANIUM-1.94-CARBIDE URANIUM-TRICHLORIDE URANIUM-TETRACHLORIDE URANIUM-PENTACHLORIDE URANIUM-HEXACHLORIDE URANIUM-TRIFLUORIDE URANIUM-TETRAFLUORIDE URANIUM-4.25-FLUORIDE URANIUM-4.5-FLUORIDE URANIUM-PENTAFLUORIDE URANIUM-HEXAFLUORIDE URANIUM-TRIHYDRIDE-BETA URANIUM-TRIIODIDE

U4O9 U4O9:1 U4O9:2 U4O9:3 U:A U:B U:C UB12 UB2 UB4 UBR3 UBR4 UBR5 UC UC1.94 UCL3 UCL4 UCL5 UCL6 UF3 UF4 UF4.25 UF4.5 UF5 UF6 UH3-B UI3

Physical Property Data 11.1

Databanks • 1-167

INORGANIC Component Databank: V

1-168 • Databanks

Alias

Name

UI4 UN UO2 UO2(NO3)2 UO2BR2 UO2CL2 UO2F2 UO2SO4 UO3 UO3*2H2O UO3*H2O UOBR2 UOBR3 UOCL UOCL2 UOCL3 US US2 USE

URANIUM-TETRAIODIDE URANIUM-NITRIDE URANIUM-DIOXIDE URANIUM-DINITRATE-DIOXIDE URANIUM-DIBROMIDE-DIOXIDE URANIUM-DICHLORIDE-DIOXIDE URANIUM-DIFLUORIDE-DIOXIDE URANIUM-SULFATE-DIOXIDE URANIUM-TRIOXIDE-ORTHORHOMBIC URANIUM-TRIOXIDE-DIHYDRATE URANIUM-TRIOXIDE-MONOHYDRATE URANIUM-DIBROMIDE-OXIDE URANIUM-TRIBROMIDE-OXIDE URANIUM-CHLORIDE-OXIDE URANIUM-DICHLORIDE-OXIDE URANIUM-TRICHLORIDE-OXIDE URANIUM-SULFIDE URANIUM-DISULFIDE URANIUM-SELENIDE

Alias

Name

V V2C V2O3 V2O4 V2O4:1 V2O4:2 V2O5 V3B2 V3B4 VB VB2 VBR2 VBR3 VBR4 VC0.88 VCL2 VCL3 VCL4 VF3 VF4 VF5 VI2 VI3 VN VN0.465 VO

VANADIUM DIVANADIUM-CARBIDE DIVANADIUM-TRIOXIDE DIVANADIUM-TETRAOXIDE DIVANADIUM-TETRAOXIDE:SOL-1 DIVANADIUM-TETRAOXIDE:SOL-2 DIVANADIUM-PENTAOXIDE TRIVANADIUM-DIBORIDE TRIVANADIUM-TETRABORIDE VANADIUM-BORIDE VANADIUM-DIBORIDE VANADIUM-DIBROMIDE VANADIUM-TRIBROMIDE VANADIUM-TETRABROMIDE-GAS VANADIUM-0.88-CARBIDE VANADIUM-DICHLORIDE VANADIUM-TRICHLORIDE VANADIUM-TETRACHLORIDE VANADIUM-TRIFLUORIDE VANADIUM-TETRAFLUORIDE VANADIUM-PENTAFLUORIDE-GAS VANADIUM-DIIODIDE VANADIUM-TRIIODIDE VANADIUM-NITRIDE VANADIUM-0.465-NITRIDE VANADIUM-OXIDE

Physical Property Data 11.1

Alias

Name

VO2 VOCL3

VANADIUM-DIOXIDE-GAS VANADIUM-TRICHLORIDE-OXIDE

INORGANIC Component Databank: W

Alias

Name

W W(CO)6 W2C W2CL10 W2O6 W3O8 W3O9 W4O12 WBR WBR5 WBR6 WC WCL WCL2 WCL4 WCL5 WCL6 WCL6:A1 WCL6:A2 WCL6:B WF WF6 WO WO2 WO2.72 WO2.90 WO2.96 WO2CL2 WO2I2 WO3 WO3:1 WO3:2 WOCL4 WOF4 WS2

TUNGSTEN TUNGSTEN-HEXACARBONYL DITUNGSTEN-CARBIDE DITUNGSTEN-DECACHLORIDE-GAS DITUNGSTEN-HEXAOXIDE-GAS TRITUNGSTEN-OCTAOXIDE-GAS TRITUNGSTEN-NONAOXIDE-GAS TETRATUNGSTEN-DODECAOXIDE-GAS TUNGSTEN-BROMIDE-GAS TUNGSTEN-PENTABROMIDE TUNGSTEN-HEXABROMIDE TUNGSTEN-CARBIDE TUNGSTEN-CHLORIDE-GAS TUNGSTEN-DICHLORIDE TUNGSTEN-TETRACHLORIDE TUNGSTEN-PENTACHLORIDE TUNGSTEN-HEXACHLORIDE TUNGSTEN-HEXACHLORIDE:S.-A1 TUNGSTEN-HEXACHLORIDE:S.-A2 TUNGSTEN-HEXACHLORIDE:SOL-B TUNGSTEN-FLUORIDE-GAS TUNGSTEN-HEXAFLUORIDE-GAS TUNGSTEN-OXIDE-GAS TUNGSTEN-DIOXIDE TUNGSTEN-2.72-OXIDE TUNGSTEN-2.90-OXIDE TUNGSTEN-2.96-OXIDE TUNGSTEN-DICHLORIDE-DIOXIDE TUNGSTEN-DIIODIDE-DIOXIDE-GAS TUNGSTEN-TRIOXIDE TUNGSTEN-TRIOXIDE:SOL-1 TUNGSTEN-TRIOXIDE:SOL-2 TUNGSTEN-TETRACHLORIDE-OXIDE TUNGSTEN-TETRAFLUORIDE-OXIDE TUNGSTEN-DISULFIDE

INORGANIC Component Databank: Y

Alias

Name

Y Y2O3 Y2O3:A Y2O3:B Y2ZR2O7 Y:A

YTTRIUM DIYTTRIUM-TRIOXIDE DIYTTRIUM-TRIOXIDE:SOL-A DIYTTRIUM-TRIOXIDE:SOL-B DIYTTRIUM-DIZIRCONIUM-HEPTAOXIDE YTTRIUM:SOL-A

Physical Property Data 11.1

Databanks • 1-169

Alias

Name

Y:B YASO4 YCL3 YF3 YF3:A YF3:B YI3 YN

YTTRIUM:SOL-B YTTRIUM-ARSENATE YTTRIUM-TRICHLORIDE YTTRIUM-TRIFLUORIDE YTTRIUM-TRIFLUORIDE:SOL-A YTTRIUM-TRIFLUORIDE:SOL-B YTTRIUM-TRIIODIDE YTTRIUM-NITRIDE

INORGANIC Component Databank: Yb

Alias

Name

YB YB2O3 YB2O3:A YB2O3:B YB:A YB:B YBCL2 YBCL3

YTTERBIUM DIYTTERBIUM-TRIOXIDE DIYTTERBIUM-TRIOXIDE:SOL-A DIYTTERBIUM-TRIOXIDE:SOL-B YTTERBIUM:SOL-A YTTERBIUM:SOL-B YTTERBIUM-DICHLORIDE YTTERBIUM-TRICHLORIDE

INORGANIC Component Databank: Zn

Alias

Name

ZN ZN2SIO4 ZN2TIO4 ZN3(ASO4)2 ZN3(PO4)2 ZN3AS2 ZN3AS2:1 ZN3AS2:2 ZN3AS2:3 ZN3N2 ZN3O(SO4)2 ZN3P2 ZN3P2:1 ZN3P2:2 ZN3PO4-2:A ZN3PO4-2:B ZNBR2 ZNCL2 ZNCO3 ZNF2 ZNF2:A ZNF2:B ZNI2 ZNO ZNP2 ZNS ZNS-S

ZINC ZINC-ORTHOSILICATE-WILLEMITE DIZINC-TITANIUM-TETRAOXIDE ZINC-ARSENATE ZINC-PHOSPHATE ZINC-ARSENIDE ZINC-ARSENIDE:SOL-1 ZINC-ARSENIDE:SOL-2 ZINC-ARSENIDE:SOL-3 ZINC-NITRIDE TRIZINC-DISULFATE-OXIDE TRIZINC-DIPHOSPHIDE TRIZINC-DIPHOSPHIDE:SOL-1 TRIZINC-DIPHOSPHIDE:SOL-2 ZINC-PHOSPHATE:SOL-A ZINC-PHOSPHATE:SOL-B ZINC-BROMIDE ZINC-CHLORIDE ZINC-CARBONATE ZINC-FLUORIDE ZINC-FLUORIDE:SOL-A ZINC-FLUORIDE:SOL-B ZINC-IODIDE ZINC-OXIDE ZINC-DIPHOSPHIDE ZINC-SULFIDE-WURTZITE ZINC-SULFIDE-SPHALERITE

1-170 • Databanks

Physical Property Data 11.1

INORGANIC Component Databank: Zr

Physical Property Data 11.1

Alias

Name

ZNSE ZNSEO3 ZNSIO3 ZNSO4 ZNSO4*2H2O ZNSO4*6H2O ZNSO4*7H2O ZNSO4*H2O ZNSO4:1 ZNSO4:2 ZNTE ZNWO4

ZINC-SELENIDE ZINC-SELENITE ZINC-METASILICATE ZINC-SULFATE ZINC-SULFATE-DIHYDRATE ZINC-SULFATE-HEXAHYDRATE ZINC-SULFATE-HEPTAHYDRATE ZINC-SULFATE-MONOHYDRATE ZINC-SULFATE:SOL-1 ZINC-SULFATE:SOL-2 ZINC-TELLURIDE ZINC-TUNGSTATE

Alias

Name

ZR ZR:A ZR:B ZRB2 ZRBR ZRBR2 ZRBR3 ZRBR4 ZRC ZRCL ZRCL2 ZRCL3 ZRCL4 ZRF ZRF2 ZRF3 ZRF4 ZRF4:A ZRF4:B ZRH ZRI ZRI2 ZRI3 ZRI4 ZRN ZRO ZRO2 ZRO2:A ZRO2:B ZRS ZRS2 ZRSIO4

ZIRCONIUM ZIRCONIUM:SOL-A ZIRCONIUM:SOL-B ZIRCONIUM-DIBORIDE ZIRCONIUM-MONOBROMIDE-GAS ZIRCONIUM-DIBROMIDE ZIRCONIUM-TRIBROMIDE ZIRCONIUM-TETRABROMIDE ZIRCONIUM-CARBIDE ZIRCONIUM-MONOCHLORIDE-GAS ZIRCONIUM-DICHLORIDE ZIRCONIUM-TRICHLORIDE ZIRCONIUM-TETRACHLORIDE ZIRCONIUM-MONOFLUORIDE-GAS ZIRCONIUM-DIFLUORIDE ZIRCONIUM-TRIFLUORIDE ZIRCONIUM-TETRAFLUORIDE ZIRCONIUM-TETRAFLUORIDE:SOL-A ZIRCONIUM-TETRAFLUORIDE:SOL-B ZIRCONIUM-HYDRIDE-GAS ZIRCONIUM-MONOIODIDE-GAS ZIRCONIUM-DIIODIDE ZIRCONIUM-TRIIODIDE ZIRCONIUM-TETRAIODIDE ZIRCONIUM-NITRIDE ZIRCONIUM-MONOXIDE-GAS ZIRCONIUM-DIOXIDE ZIRCONIUM-DIOXIDE:SOL-A ZIRCONIUM-DIOXIDE:SOL-B ZIRCONIUM-MONOSULFIDE-GAS ZIRCONIUM-DISULFIDE ZIRCONIUM-ORTHOSILICATE

Databanks • 1-171

INORGANIC Component Databank: Other Elements

1-172 • Databanks

Alias

Name

ALBITE-HIGH NAALSI3O8-H ALUNITE KAL3(OH)6(SO4)2 AM AMERICIUM AM:A AMERICIUM:SOL-A AM:B AMERICIUM:SOL-B AM:C AMERICIUM:SOL-C ANALCITE NAALSI2O6*H2O ANDRADITE CA3FE2SI3O12 ANNITE KFE3(ALSI3)O10(OH)2 ANTHOPHYLLIT ANTHOPHYLLITE ANTIGORITE MG48SI34O85(OH)62 AR ARGON ARTINITE MG2(OH)2(CO3)*3H2O AZURITE CU3(OH)2(CO3)2 BR BROMINE-MONATOMIC-GAS BR2 BROMINE CHRYSOTILE MG3SI2O5(OH)4 CLINOCHL-14A MG5AL(ALSI3)O10(OH)8-14A CLINOCHLO-7A MG5AL(ALSI3)O10(OH)8-7A CLINOZOISITE CA2AL3SI3O12(OH)-C CORDIERITE-H MG2AL3(ALSI5)O18*H20 DIASPORE-D ALO(OH)-D DICKITE AL2SI2O7*2H2O-D DOLOMITE-D CAMG(CO3)2-D DOLOMITE-O CAMG(CO3)2-O EELECTRON-GAS EPIDOTE CA2FEAL2SI3O12(OH) EPIDOTE-O CA2FEAL2SI3O12(OH)-O F FLUORINE-MONATOMIC-GAS F2 FLUORINE HALLOYSITE AL2SI2O7*2H2O-H HE HELIUM HEDENBERGITE CAFE(SIO3)2 HUNTITE CAMG3(CO3)4 HYDROMAGNES MG5(OH)2(CO3)4*4H20 I I IODINE-MONATOMIC-GAS I2 IODINE KAOLINITE AL2SI2O7*2H2O KR KRYPTON LAUMONTITE CA(AL2SI4)O12*4H2O LAWSONITE CAAL2SI2O8*2H2O LU LUTETIUM LU2O3 LUTETIUM-OXIDE MALACHITE CU2(OH)2(CO3) MARGARITE CAAL2(AL2SI2)O10(OH)2 MUSCOVITE KAL3SI3O10(OH)2

Physical Property Data 11.1

Physical Property Data 11.1

Alias

Name

NE NESQUEHONITE PA PA:A PA:B PARAGONITE PARGASITE PHLOGOPITE PREHNITE PYROPHYLLITE RN-G SEPIOLITE TALC TC TC2O7 TCO2 TCO3 TREMOLITE WAIRAKITE XE ZOISITE

NEON MGCO3*3H2O PROTACTINIUM PROTACTINIUM:SOL-A PROTACTINIUM:SOL-B NAAL2(ALSI3)O10(OH)2 NA(CA2MG4AL)(AL2SI6)O22(OH)2 KMG3(ALSI3)O10(OH)2 CA2AL2SI3O10(OH)2 AL2SI4O10(OH)2 RADON-MONATOMIC-GAS MG4SI6O15(OH)2(H2O)2*4H2O MG3SI4O10(OH)2 TECHNETIUM DITECHNETIUM-HEPTAOXIDE TECHNETIUM-DIOXIDE TECHNETIUM-TRIOXIDE CA2MG5SI8O23*H2O CA(AL2SI4)O12*2H2O XENON CA2AL3SI3O12(OH)-A

Databanks • 1-173

Solids Component Databank The tables below list the components present in the SOLIDS component databank. Components beginning with:

SOLIDS Component Databank Parameters

Ag

Al

Au

B

Ba

Be

Bi

C

Ca

Cd

Ce

Co

Cr

Cs

Cu

Dy

Er

Eu

Fe

Ga

Gd

H

Hg

Ho

In

K

La

Li

Lu

Mg

Mn

Mo

N

Na

Nb

Nd

Ni

P

Pa

Pb

Pd

Pr

Pt

Ra

Rb

Sb

Sc

Si

Sm

Sn

Sr

Tb

Th

Ti

Tl

U

V

W

Y

Yb

Zn

Zr

Other Elements

Parameter Name

Description

ATOMNO

Vector containing the atom types (atomic numbers) for a given molecule (e.g., H=1, C=6, O=8). Must use the vector NOATOM to define the number of occurrences of each atom. Ideal gas heat capacity coefficient Solid heat capacity coefficients Standard free energy of formation Solids free energy of formation at 25ºC Standard heat of formation Heat of fusion at TFP Solids heat of formation at 25ºC Heat of vaporization at TB Watson heat of vaporization parameters Molecular weight Vector containing the number of occurrences of each atom defined in ATOMNO for a given molecule. ATOMNO and NOATOM define the chemical formula of the molecule. Pitzer acentric factor Critical pressure Antoine liquid vapor pressure coefficients Antoine solid vapor pressure coefficients Boiling point Critical temperature Freezing point

CPIG CPSPO1 DGFORM DGSFRM DHFORM DHLSF DHSFRM DHVLB DHVLWT MW NOATOM

OMEGA PC PLXANT PSANT TB TC TFP

1-174 • Databanks

Physical Property Data 11.1

Parameter Name

Description

VC VSPOLY ZC

Critical volume Solid molar volume coefficients Critical compressibility factor

Vectors ATOMNO and NOATOM together form the chemical formula of the compound. They are used to calculate molecular weight and are used in RGIBBS DGFORM and DHFORM are calculated for Ideal gas at 25°C SOLIDS Component Databank: Ag

Physical Property Data 11.1

Alias

Name

AG AG2C2 AG2C2O4 AG2H3IO6 AG2HGI4 AG2HVO4 AG2MOO4 AG2N2O2 AG2PTBR6 AG2PTCL6 AG2S2O6*2W AG2SEO3 AG2SEO4 AG2SO3 AG3C2CL AG3C2I AG3C2NO3 AG3H2VO5 AG3I4H*7W AG3IN2O6 AG3N AG3P3O9*W AG3PO4 AG4C2I2 AG4C2SO4 AG4FEC6N6*W AG4P2O7 AG5C4CL AG6C4SO4 AGAUF4 AGBR AGBR*1.5NH3 AGBR4AL AGBR7AL2 AGBRCH5N AGBRNH3

SILVER AG2C2 AG2C2O4 AG2H3IO6 AG2HGI4 AG2HVO4 AG2MOO4 AG2N2O2 AG2PTBR6 AG2PTCL6 AG2S2O6*2H2O AG2SEO3 AG2SEO4 AG2SO3 AG2C2*AGCL AG2C2*AGI AG2C2*AGNO3 AG2HVO4*AGOH (AGI)3*HI*7H2O AG3I(NO3)2 AG3N (AGPO3)3*H2O AG3PO4 AG2C2*2AGI AG2C2*AG2SO4 AG4FE(CN)6*H2O AG4P2O7 (AG2C2)2*AGCL (AG2C2)2*AG2SO4 AGAUF4 SILVER-BROMIDE AGBR*1.5NH3 AGBR*ALBR3 AGBR*2ALBR3 AGBR*CH3NH2 AGBR*NH3

Databanks • 1-175

SOLIDS Component Databank: Al

1-176 • Databanks

Alias

Name

AGCH3CO2 AGCL AGCL*1.5NH3 AGCL*NH3 AGCL4AL AGCLCH5N AGCLO2 AGCLO4 AGCN2 AGCN2H3 AGF*2W AGF*4W AGF2 AGI AGI*0.5NH3 AGI*0.5PH3 AGINH3 AGIO3 AGN2H6CLO4 AGN3 AGN3H6O3 AGN3H9BR AGN3H9CL AGN3H9CLO4 AGN4H9O3 AGNO2 AGOCN AGONC AGREO4 AGSCN AGVO3

SILVER-ACETATE SILVER-CHLORIDE AGCL*1.5NH3 AGCL*NH3 AGCL*ALCL3 AGCL*CH3NH2 AGCLO2 AGCLO4 SILVER-CYANAMIDE AGCN*NH3 AGF*2H2O AGF*4H2O AGF2 SILVER-IODIDE AGI*0.5NH3 AGI*0.5PH3 AGI*NH3 AGIO3 AG(NH3)2CLO4 AGN3 AG(NH3)2NO3 AG(NH3)3BR AG(NH3)3CL AG(NH3)3CLO4 AG(NH3)3NO3 AGNO2 SILVER-CYANATE SILVER-FULMINATE AGREO4 SILVER-THIOCYANATE AGVO3

Alias

Name

AL AL(OH)3 AL2CL9ZN1.5 AL2NABR6CL AL2NABR7 AL2O3 AL2O3-2 AL2S3O12*18W AL2S3O12*6W AL2SIO5-S AL6SI2O13 ALB12-A ALBR3*14NH3 ALBR3*3NH3

ALUMINIUM ALUMINIUM-HYDROXIDE AL2CL6*1.5ZNCL2 (ALBR3)2*NACL (ALBR3)2*NABR ALUMINIUM-OXIDE-ALPHA-CORUNDUM ALUMINIUM-OXIDE-ALUMINA AL2(SO4)3*18H2O ALUMINUM-SULFATE-HEXAHYDRATE ALUMINIUM-SILICATE-SILLIMANITE MULLITE ALB12-ALPHA ALBR3*14NH3 ALBR3*3NH3

Physical Property Data 11.1

SOLIDS Component Databank: Au

Physical Property Data 11.1

Alias

Name

ALBR3*5NH3 ALBR3*6NH3 ALBR3*7NH3 ALBR3*9NH3 ALBR3*H2S ALBR3*NABR ALBR3*NACL ALBR3*NH3 ALBR3*PH3 ALC3H9 ALC6H9O6 ALCL3*0.5SO2 ALCL3*14NH3 ALCL3*3NH3 ALCL3*5NH3 ALCL3*6NH3 ALCL3*7NH3 ALCL3*H2S ALCL3*NABR ALCL3*NACL ALCL3*NH3 ALCL3*NH4CL ALCL3*PH3 ALCL3*SO2 ALCL4N7H22 ALI3*13NH3 ALI3*20NH3 ALI3*2H2S ALI3*3NH3 ALI3*5NH3 ALI3*6NH3 ALI3*7NH3 ALI3*9NH3 ALI3*NH3 ALN3O9*6W ALN3O9*9W ALO(OH)

ALBR3*5NH3 ALBR3*6NH3 ALBR3*7NH3 ALBR3*9NH3 ALBR3*H2S ALBR3*NABR ALBR3*NACL ALBR3*NH3 ALBR3*PH3 AL(CH3)3 ALUMINUM-ACETATE ALCL3*0.5SO2 ALCL3*14NH3 ALCL3*3NH3 ALCL3*5NH3 ALCL3*6NH3 ALCL3*7NH3 ALCL3*H2S ALCL3*NABR ALCL3*NACL ALCL3*NH3 ALCL3*NH4CL ALCL3*PH3 ALCL3*SO2 ALCL3*NH4CL*6NH3 ALI3*13NH3 ALI3*20NH3 ALI3*2H2S ALI3*3NH3 ALI3*5NH3 ALI3*6NH3 ALI3*7NH3 ALI3*9NH3 ALI3*NH3 ALUMINUM-NITRATE-HEXAHYDRATE ALUMINUM-NITRATE-NONAHYDRATE BOEHMITE-ALO(OH)

Alias

Name

AU AU2PB AUBR*2NH3 AUBR*3NH3 AUBR*4NH3 AUBR*6NH3 AUBR*NH3 AUBR3

GOLD AU2PB AUBR*2NH3 AUBR*3NH3 AUBR*4NH3 AUBR*6NH3 AUBR*NH3 AUBR3

Databanks • 1-177

Alias

Name

AUCL*2NH3 AUCL*NH3 AUCL3*2W AUI*2NH3 AUI*3NH3 AUI*6NH3 AUI*NH3 AUI*PH3 AUIN AUIN2 AUPB2

AUCL*2NH3 AUCL*NH3 AUCL3*2H2O AUI*2NH3 AUI*3NH3 AUI*6NH3 AUI*NH3 AUI*PH3 AUIN AUIN2 AUPB2

SOLIDS Component Databank: B

Alias

Name

B B10H14 B13P2 B2O3 B3N3H3CL3 BC4H12NH2 BF3*PC3H9 BH3NH2CH3 BO3C3H9*NH3 BO3C6H12N

BORON DECABORANE B13P2 BORON-OXIDE TRICHLOROBORAZOLE-BETA B(CH3)3*NH2CH3 BF3*P(CH3)3 BH3NH2CH3 B(OCH3)3*NH3 TRIETHANOLAMINE-BORATE

SOLIDS Component Databank: Ba

Alias

Name

1-178 • Databanks

BA BARIUM BA(C2H5O)2 BA(C2H5O)2 BA(CH3CO2)2 BA(CH3CO2)2 BA(CH3CO3)2 BA(CH2OHCO2)2 BA(CN)2 BA(CN)2 BA(CN)2*2W BA(CN)2*2H2O BA(CN)2*W BA(CN)2*H2O BA(CNO)2 BA(CNO)2 BA(H2PO2)2*W BA(H2PO2)2*H2O BA(H2PO4)2 BA(H2PO4)2 BA(HCO2)2 BA(HCO2)2 BA(IO3)2 BA(IO3)2 BA(IO3)2*W BA(IO3)2*H2O BA(NH2)2 BA(NH2)2 BA(NH3)6 BA(NH3)6 BA(NO2)2 BA(NO2)2 BA(NO2)2*W BA(NO2)2*H2O BA(REO4)2*4W BA(REO4)2*4H2O BA2AL2O5*5W (BAO)2*AL2O3*5H2O BA2N BA2N BA2NBR BA2NBR BA2NCL BA2NCL

Physical Property Data 11.1

Alias

Name

BA2TL(NO2)5 (BA(NO2)2)2*TLNO2 BA3(ASO4)2-P BARIUM-ARSENATE-PRECIPITATE BA3(RHCL6)2 BA3(RHCL6)2 BA3AL4CL18 (BACL2)3*2AL2CL6 BA3P2O8 BA3(PO4)2-COLLOIDAL BA3WO6 BA3WO6 BA6NI9 BA6NI9 BAAL4 BAAL4 BABR2*2NH3 BABR2*2NH3 BABR2*2W BABR2*2H2O BABR2*4NH3 BABR2*4NH3 BABR2*8NH3 BABR2*8NH3 BABR2*BAO*2W BABR2*BAO*2H2O BABR2*BAO*5W BABR2*BAO*5H2O BABR2*NH3 BABR2*NH3 BABR2*W BABR2*H2O BABR2O6 BA(BRO3)2 BABR2O6*W BA(BRO3)2*H2O BAC2O4 BAC2O4 BAC2O4*0.5W BAC2O4*0.5H2O BAC2O4*2W BAC2O4*2H2O BAC2O4*3.5W BAC2O4*3.5H2O BAC4H14S2O10 BA(C2H5SO4)2*2H2O BAC4H6O4*3W BA(CH3CO2)2*3H2O BACA(CO3)2 BACA(CO3)2 BACL2*2W BACL2*2H2O BACL2*8NH3 BACL2*8NH3 BACL2*AL2CL6 BACL2*AL2CL6 BACL2*BAO*3W BACL2*BAO*3H2O BACL2*BAO*5W BACL2*BAO*5H2O BACL2*BAO*8W BACL2*BAO*8H2O BACL2*W BACL2*H2O BACL2O4 BA(CLO2)2 BACL2O4*3.5W BA(CLO2)2*3.5H2O BACL2O6 BA(CLO3)2 BACL2O6*W BA(CLO3)2*H2O BACL2O8 BA(CLO4)2 BACL2O8*2NH3 BA(CLO4)2*2NH3 BACL2O8*3W BA(CLO4)2*3H2O BACL2O8*6NH3 BA(CLO4)2*6NH3 BACLF BACLF BACLH BACLH BACN2 BACN2 BACO3 BARIUM-CARBONATE BACS3 BACS3 BAF2 BARIUM-FLUORIDE BAH4AS2O8*2W BA(H2ASO4)2*2H2O

Physical Property Data 11.1

Databanks • 1-179

1-180 • Databanks

Alias

Name

BAH4P2O4 BAH4S3O12*W BAHASO4*W BAHPO4 BAI2*10NH3 BAI2*2.5W BAI2*2NH3 BAI2*2PBI BAI2*2SO2 BAI2*2W BAI2*4NH3 BAI2*4SO2 BAI2*6NH3 BAI2*7W BAI2*8NH3 BAI2*9NH3 BAI2*BAO*2W BAI2*BAO*9W BAI2*W BAIH BAMG2 BAMNO4 BAMOO3 BAN2 BAN6*W BANH BAO*2SIO2 BAO*AL2O3 BAO*AL2O3*2W BAO*AL2O3*4W BAO*AL2O3*7W BAO*AL2O3*W BAO*GEO2 BAO*SIO2 (BAO)2*3SIO2 (BAO)2*GEO2 (BAO)2*SIO2 (BAO)3*AL2O3 (BAO)3*GEO2 3BAO*4C2H6O 3BAO*4CH4O BAO2H2*3W BAO2H2*8W BAO2H2*W BAOSCL6 BAPB2I6*7W BAPDCL4

BA(H2PO2)2 BASO4*2H2SO4*H2O BAHASO4*H2O BAHPO4 BAI2*10NH3 BAI2*2.5H2O BAI2*2NH3 BAI2*2PBI2 BAI2*2SO2 BAI2*2H2O BAI2*4NH3 BAI2*4SO2 BAI2*6NH3 BAI2*7H2O BAI2*8NH3 BAI2*9NH3 BAI2*BAO*2H2O BAI2*BAO*9H2O BAI2*H2O BAIH BAMG2 BAMNO4 BAMOO3 BAN2 BA(N3)2*H2O BANH BAO*2SIO2 BAO*AL2O3 BAO*AL2O3*2H2O BAO*AL2O3*4H2O BAO*AL2O3*7H2O BAO*AL2O3*H2O BAO*GEO2 BAO*SIO2 (BAO)2*3SIO2 (BAO)2*GEO2 (BAO)2*SIO2 (BAO)3*AL2O3 (BAO)3*GEO2 (BAO)3*4C2H5OH (BAO)3*4CH3OH BA(OH)2*3H2O BA(OH)2*8H2O BA(OH)2*H2O BAOSCL6 BAI2*2PBI2*7H2O BAPDCL4

Physical Property Data 11.1

SOLIDS Component Databank: Be

Physical Property Data 11.1

Alias

Name

BAPTCL6 BAPTCL6*6W BARUO4*W BAS2O3 BAS2O6*2W BAS2O8*4W BAS4O6*2W BASE BASEO3 BASEO4 BASIF6 BASO3 BASO4 BASO4*H2SO4 BASRTIO4

BAPTCL6 BAPTCL6*6H2O BARUO4*H2O BAS2O3 BAS2O6*2H2O BAS2O8*4H2O BAS4O6*2H2O BASE BASEO3 BASEO4 BASIF6 BASO3 BARIUM-SULFATE BASO4*H2SO4 BASRTIO4

Alias

Name

BE BE2SIO4 BE3B2O6 BEBR2*10NH3 BEBR2*2H2S BEBR2*4NH3 BEBR2*6NH3 BECL2*12NH3 BECL2*2NH3 BECL2*4NH3 BECL2*4W BECL2*6NH3 BECO3 BEH2 BEI2*13NH3 BEI2*2H2S BEI2*4NH3 BEI2*6NH3 BEMOO4 BEO*3AL2O3 BEO*AL2O3 BESEO4 BESEO4*2W BESEO4*4W BESO4 BESO4*W

BERYLLIUM BERYLLIUM-SILICATE-PHENACITE TRIBERYLLIUM-DIBORATE BEBR2*10NH3 BEBR2*2H2S BEBR2*4NH3 BEBR2*6NH3 BECL2*12NH3 BECL2*2NH3 BECL2*4NH3 BECL2*4H2O BECL2*6NH3 BECO3 BEH2 BEI2*13NH3 BEI2*2H2S BEI2*4NH3 BEI2*6NH3 BEMOO4 BEO*3AL2O3 BEO*AL2O3 BESEO4 BESEO4*2H2O BESEO4*4H2O BERYLLIUM-SULFATE BESO4*H2O

Databanks • 1-181

SOLIDS Component Databank: Bi

Alias

Name

BI BI(OH)2CL BI(OH)3 BIOBR BIONO3 BIOOH

BISMUTH BI(OH)2CL BISMUTH-HYDROXIDE BIOBR BIONO3 BIOOH

SOLIDS Component Databank: C

Alias

Name

C C2H4O8S2K2 C2H5OK C2O3.5H4NA C2O4H3NA C3H9AS*BC3H9 C3H9AS*BF3 C3H9B*NH3 C3H9N*ALBR3 C3H9N*ALCL3 C3H9N*BC3H9 C3H9N*BH3 C3H9NB3H7 C3H9P*BC3H9 C4H11N*BC3H9 C4H11O2CS C4H11O2K C4H12N*BH4 CCL3COONA CH2OHCOONA CH2SO4 CH3COOK CH3COONH4

CARBON-GRAPHITE C2H2O2*2KHSO3 C2H5OK CH2OHCOONA*0.5H2O CH(OH)2COONA (CH3)3AS*B(CH3)3 (CH3)3AS*BF3 (CH3)3B*NH3 (CH3)3N*ALBR3 (CH3)3N*ALCL3 (CH3)3N*B(CH3)3 (CH3)3N*BH3 (CH3)3NB3H7 (CH3)3P*B(CH3)3 (C2H5)2NH*B(CH3)3 C2H5OCS*C2H5OH C2H5OK*C2H5OH (CH3)4N*BH4 CCL3COONA CH2OHCOONA METHYLENE-SULFATE CH3COOK AMMONIUM-ACETATE

SOLIDS Component Databank: Ca

Alias

Name

CA CA(OH)2 CA10P6O24F2 CA10P6O26H2 CA12AL14O33 CA2AL2O5 CA2AL2O5*5W CA2AL2SIO7 CA2B2O5 CA2B2SI2O9 CA2B2SI2O9*W CA2B6O11 CA2B6O11*13W CA2FE2O5

CALCIUM CALCIUM-HYDROXIDE CA10(PO4)6F2 CA10(PO4)6(OH)2 (CAO)12*7AL2O3 (CAO)2*AL2O3 (CAO)2*AL2O3*5H2O GEHLENITE DICALCIUM-DIBORATE (CAO)2*B2O3*2SIO2 (CAO)2*B2O3*2SIO2*H2O (CAO)2*3B2O3 (CAO)2*3B2O3*13H2O DICALCIUM-DIIRON-PENTAOXIDE

1-182 • Databanks

Physical Property Data 11.1

Physical Property Data 11.1

Alias

Name

CA2GEO4 CA2MGSI2O7 CA2N2O10.5H7 CA2N2O8H2 CA2SIO4-B CA2V2O7 CA3AL2O6 CA3AL2O6*6W CA3AL2SI2O10 CA3AL4CL18 CA3B2O6 CA3BI2 CA3CL2O2 CA3GEO5 CA3MGSI2O8 CA3O7C8H24 CA3P2O8-A CA3P2O8-B CA3TI2O7 CA3V2O8 CA4AL2O7 CA4BR2O19H32 CA4CL2O3 CA4CL2O3*16W CA4CL2O3*3W CA4I2O19H32 CA4SI2O7F2 CA5I2O12 CA8H12P6O29 CAAL2 CAAL2O4 CAAL2SI2O8 CAAL2SI6O16 CAAL2SIO6 CAAL4 CAAL4O7 CAALGASI2O8 CAB2F8 CAB2O4 CAB4O7 CABR2*2NH3 CABR2*6NH3 CABR2*6W CABR2*8NH3 CABR2*NH3 CABR2O6 CABRH

(CAO)2*GEO2 AKERMANITE CA(NO3)2*CA(OH)2*2.5H2O CA(NO3)2*CA(OH)2 LARNITE CALCIUM-PYROVANADATE (CAO)3*AL2O3 (CAO)3*AL2O3*6H2O (CAO)3*AL2O3*2SIO2 (CACL2)3*4ALCL3 TRICALCIUM-DIBORATE CA3BI2 CACL2*2CAO (CAO)3*GEO2 MERWINITE (CAO)3*4C2H5OH CA3(PO4)2-ALPHA CA3(PO4)2-BETA (CAO)3*2TIO2 (CAO)3*V2O5 (CAO)4*AL2O3 CABR2*3CAO*16H2O CACL2*3CAO CACL2*3CAO*16H2O CACL2*3CAO*3H2O CAI2*3CAO*16H2O (CAO)3*2SIO2*CAF2 CA5(IO6)2 CA8H2(PO4)6*5H2O CAAL2 CAO*AL2O3 ANORTHITE CAO*AL2O3*6SIO2 PYROXENE CAAL4 CAO*2AL2O3 CAALGASI2O8 CA(BF4)2 CALCIUM-DIBORATE CALCIUM-TETRABORATE CABR2*2NH3 CABR2*6NH3 CABR2*6H2O CABR2*8NH3 CABR2*NH3 CA(BRO3)2 CABRH

Databanks • 1-183

1-184 • Databanks

Alias

Name

CAC2N2 CAC2O4 CAC2O4*W CAC4H10O2 CAC4H6O4 CAC4H6O4*W CAC4H6O6 CAC4H6O6*3W CAC4H6O6*5W CAC8H22O4 CACL2 CACL2*2NH3 CACL2*2W CACL2*4NH3 CACL2*4W CACL2*6W CACL2*8NH3 CACL2*NH3 CACL2*W CACL2C6H18O3 CACL2C8H24O4 CACL2O4 CACL2O8 CACL2O8*4W CACL2O8*6NH3 CACLH CACO3 CACO3-A CAFESIO4 CAGEO3 CAH12P2O9N2 CAH18P2O9N4 CAH2 CAH2C2O4 CAH4P2O4 CAH4P2O8 CAH6P2O9 CAH9P2O9N CAI2*2NH3 CAI2*6NH3 CAI2*8NH3 CAI2*8W CAI2*NH3 CAI2O6 CAI2O6*6W CAI2O6*W CAIH

CA(CN)2 CAC2O4 CAC2O4*H2O CA(C2H5O)2 CA(CH3CO2)2 CA(CH3CO2)2*H2O CA(CH2OHCO2)2 CA(CH2OHCO2)2*3H2O CA(CH2OHCO2)2*5H2O CA(C2H5O)2*2C2H5OH CALCIUM-CHLORIDE CACL2*2NH3 CACL2*2H2O CACL2*4NH3 CACL2*4H2O CACL2*6H2O CACL2*8NH3 CACL2*NH3 CACL2*H2O CACL2*3C2H5OH CACL2*4C2H5OH CA(CLO2)2 CA(CLO4)2 CA(CLO4)2*4H2O CA(CLO4)2*6NH3 CACLH CALCIUM-CARBONATE-CALCITE CALCIUM-CARBONATE-ARAGONITE CAFESIO4 CAO*GEO2 CA(H2PO4)2*H2O*2NH3 CA(H2PO4)2*H2O*4NH3 CALCIUM-HYDRIDE CA(HCOO)2 CA(H2PO2)2 CA(H2PO4)2 CA(H2PO4)2*H2O CA(H2PO4)2*H2O*NH3 CAI2*2NH3 CAI2*6NH3 CAI2*8NH3 CAI2*8H2O CAI2*NH3 CA(IO3)2 CA(IO3)2*6H2O CA(IO3)2*H2O CAIH

Physical Property Data 11.1

SOLIDS Component Databank: Cd

Physical Property Data 11.1

Alias

Name

CAMG(CO3)2 CAMG2CL6*2W CAMOO3 CAN2H4 CAN2O2*4W CAN2O4 CAN2O4*4W CAN2O8C2H8 CAN6 CAN6*0.5W CAN6*1.5W CAN6*2N2H4 CAN6*4W CAN6*N2H4 CAO CAO*FE2O3 CAO4H4 CAOCL2 CAP2O6-B CAPB2I6 CAPB2I6*7W CAPB3 CAS2O6*4W CASEO3*2W-1 CASEO3*2W-2 CASEO4 CASEO4*2W CASO4 CASO4*0.5W-B CASO4-A CASO4-B 2(CASO4)*W CATIO3 CATL CAV2O6

DOLOMITE CACL2*2MGCL2*2H2O CAMOO3 CA(NH2)2 CAN2O2*4H2O CA(NO2)2 CA(NO2)2*4H2O CA(NO3)2*2CH3OH CA(N3)2 CA(N3)2*0.5H2O CA(N3)2*1.5H2O CA(N3)2*2N2H4 CA(N3)2*4H2O CA(N3)2*N2H4 CALCIUM-OXIDE CAO*FE2O3 CA(OH)2*H2O2 CA(OCL)CL CA(PO3)2-BETA CAI2*2PBI2 CAI2*2PBI2*7H2O CAPB3 CAS2O6*4H2O-DITHIONATE CASEO3*2H2O CASEO3*2H2O-PRECIPITATED CASEO4 CASEO4*2H2O CALCIUM-SULFATE CASO4*0.5H2O-BETA CASO4-SOLUBLE-ALPHA CASO4-SOLUBLE-BETA 2(CASO4)*H2O CAO*TIO2 CATL CAO*V2O5

Alias

Name

CD CD2I6PB CD3C4N4O6H10 CD3N2 CD3P2 CD3P2O8 CD3S2O10H2 CD3SB2 CD3SO8H4 CDAS2

CADMIUM (CDI2)2*PBI2 (CD(CN)2)2*CDO*5H2O CADMIUM-NITRIDE CADMIUM-PHOSPHIDE CD3(PO4)2 (CDSO4)2*CD(OH)2 CD3SB2 CDSO4*2CD(OH)2 CDAS2

Databanks • 1-185

Alias

Name

CDB2O4 CDBR2*4W CDBR2N12H36 CDBR2N2H6 CDBR2N6H18 CDBR2NH3 CDBR3NH5O0.5 CDBROH CDC2N2 CDC2N2S2 CDC2O4 CDC2O7H6 CDCL2*2.5W CDCL2*W CDCL2N10H30 CDCL2N2H6 CDCL2N4H12 CDCL2N6H18 CDCL2NH3 CDCL2O8*6W

CD(BO2)2 CADMIUM-BROMIDE-TETRAHYDRATE CDBR2*12NH3 CDBR2*2NH3 CDBR2*6NH3 CDBR2*NH3 CDBR2*NH4BR*0.5H2O CDBROH CADMIUM-CYANIDE CD(CNS)2 CADMIUM-OXALATE CADMIUM-OXALATE-TRIHYDRATE CDCL2*2.5H2O CADMIUM-CHLORIDE-HYDRATE CDCL2*10NH3 CDCL2*2NH3 CDCL2*4NH3 CDCL2*6NH3 CDCL2*NH3 CADMIUM-PERCHLORATEHEXAHYDRATE CDCL3NH5O0.5 CDCL2*NH4CL*0.5H2O CDCL4H2*7W CDCL2*2HCL*7H2O CDCL6N4H16 CDCL2*4NH4CL CDH5S3.5O14 CDSO4*2.5H2SO4 CDI2N2H6 CDI2*2NH3 CDI2N6H18 CDI2*6NH3 CDI2O6 CADMIUM-IODATE CDI3NH5O0.5 CDI2*NH4I*0.5H2O CDIOH CDIOH CDN2H4 CADMIUM-AMIDE CDN2O6 CADMIUM-NITRATE CDN2O6*2W CADMIUM-NITRATE-DIHYDRATE CDN2O6*4W CADMIUM-NITRATE-TETRAHYDRATE CDN6 CADMIUM-AZIDE CDO2N2C2 CADMIUM-FULMINATE CDOHCL CD(OH)CL CDSEO4 CADMIUM-SELENATE CDSEO4*W CADMIUM-SELENATE-HYDRATE CDSO4*W CADMIUM-SULFATE-HYDRATE

SOLIDS Component Databank: Ce

1-186 • Databanks

Alias

Name

CE CE2C6O12*10W CE2S3O12*5W CE2S3O12*8W CE2SE3O9*10W

CERIUM CE2(C2O4)3*10H2O CE2(SO4)3*5H2O CE2(SO4)3*8H2O CE2(SEO3)3*10H2O

Physical Property Data 11.1

SOLIDS Component Databank: Co

Physical Property Data 11.1

Alias

Name

CE3AL CEAL2 CEAL4 CEAS CECL3*12NH3 CECL3*20NH3 CECL3*2NH3 CECL3*4NH3 CECL3*7W CECL3*8NH3 CEF3*W CEHG4 CEI3O9 CEI3O9*2W CEN3O9 CEN3O9*3W CEN3O9*4W CEN3O9*6W CEOCL CES2 CEZN

CE3AL CEAL2 CEAL4 CEAS CECL3*12NH3 CECL3*20NH3 CECL3*2NH3 CECL3*4NH3 CECL3*7H2O CECL3*8NH3 CEF3*H2O CEHG4 CE(IO3)3 CE(IO3)3*2H2O CE(NO3)3 CE(NO3)3*3H2O CE(NO3)3*4H2O CE(NO3)3*6H2O CEOCL CES2 CEZN

Alias

Name

CO2AL5 CO2AS CO2AS3 CO2C CO2N11H17O13 CO2N12H18O12 CO2S3 CO2SI CO2SIO4 CO3AS2 CO3N18H27O18 CO3P2O8 CO3TE4 CO3W CO4N24H36O24 CO4SO10H6 CO5AS2 CO5N30H45O30 CO5TE6 COAL COAL2 COAL4 COAS COAS2

CO2AL5 CO2AS CO2AS3 CO2C (CO(NH3)5H2O)(CO(NO2)6) (CO(NH3)6)(CO(NO2)6) CO2S3 CO2SI DICOBALT-SILICATE CO3AS2 (CO(NH3)5NO2)(CO(NH3)2(NO2)4)2 CO3(PO4)2 CO3TE4 CO3W (CO(NH3)6)(CO(NH3)2(NO2)4)3 COSO4*3CO(OH)2 CO5AS2 (CO(NH3)5NO2)3(CO(NO2)6)2 CO5TE6 COAL COAL2 COAL4 COAS COAS2

Databanks • 1-187

1-188 • Databanks

Alias

Name

COB2O4 COBALT COBR2*2N2H4 COBR2*2NH3 COBR2*6W COBR2*NH3 COBR2C2H8O2 COBR2C4H12O2 COBR2C4H12O4 COBR2C6H18O3 COBR2C6H18O6 COC2N2O2 COC2N2S2 COC2O4 COCL2 COCL2*2N2H4 COCL2*2NH3 COCL2*2W COCL2*6W COCL2*NH3 COCL2*W COCL2C4H12O2 COCL2C6H18O3 COCL2C6H18O6 COCL2O8*6W COH2C2O4 COHPO4 COI2*2NH3 COI2O6*2W CON12H9 CON13H12-C CON13H12-T CON14H15 CON15H18 CON2H8C2CL2 CON2O6*2W CON2O6*3W CON2O6*4W CON2O6*6W CON3H12C3CL2 CON4H12CL3 CON4H16C4CL3 CON4H16O2CL3 CON5H10C2O8 CON5H15BR3 CON5H15CL3 CON5H15CLBR2

CO(BO2)2 COBALT COBR2*2N2H4 COBR2*2NH3-ROSE COBR2*6H2O COBR2*NH3 COBR2*2CH3OH COBR2*2C2H5OH COBR2*2C2H4(OH)2 COBR2*3C2H5OH COBR2*3C2H4(OH)2 CO(CNO)2 CO(CNS)2 COBALT-OXALATE COCL2 COCL2*2N2H4 COCL2*2NH3-ROSE COCL2*2H2O COCL2*6H2O COCL2*NH3 COCL2*H2O COCL2*2C2H5OH COCL2*3C2H5OH COCL2*3C2H4(OH)2 CO(CLO4)2*6H2O CO(HCO2)2 COHPO4 COI2*2NH3-BLUE CO(IO3)2*2H2O (CO(NH3)3(N3)3) (CO(NH3)4(N3)2)N3-CIS (CO(NH3)4(N3)2)N3-TRANS (CO(NH3)5N3)(N3)2 (CO(NH3)6)(N3)3 (CO(C2H4(NH2)2))CL2 CO(NO3)2*2H2O CO(NO3)2*3H2O CO(NO3)2*4H2O CO(NO3)2*6H2O COCL2*1.5C2H4(NH2)2 (CO(NH3)4CL2)CL-CIS (CO(C2H4(NH2)2)2CL2)CL (CO(NH3)4(H2O)2)CL3 NH4(CO(NH3)2(NO2)2C2O4) (CO(NH3)5BR)BR2 (CO(NH3)5CL)CL2 (CO(NH3)5CL)BR2

Physical Property Data 11.1

Physical Property Data 11.1

Alias

Name

CON5H15CLC2O CON5H15CLI2 CON5H15I3 CON5H15ICL2 CON5H15SO4I CON5H16CO2I2 CON5H17OBR3 CON5H17OCL3 CON5H17OF3 CON5H17OI3 CON5H19C4CL3 CON6H11C2O6 CON6H12O4CL CON6H12O4I-C CON6H12O4I-T CON6H12O8S CON6H15C2O6 CON6H15O2BR2 CON6H15O2CL2 CON6H15O2I2 CON6H15O3CL2 CON6H15O3I2 CON6H15O7S CON6H17CO7 CON6H18BR2 CON6H18BR3 CON6H18CL2 CON6H18CL3 CON6H18I2 CON6H18I3 CON6H24C6BR2 CON6H24C6CL2 CON6H24C6I2 CON6H24C6I3 CON6H9O6 CON7H10O8 CON7H12O7 CON7H14O10 CON7H15IO6 CON7H16C4O7 CON7H16CO8 CON8H15CSO6 CON8H15O8 CON8H15O9 CON8H17O10 CON9H18O9 CON9H24C6O9

(CO(NH3)5CL)C2O4 (CO(NH3)5CL)I2 (CO(NH3)5I)I2 (CO(NH3)5I)CL2 (CO(NH3)5SO4)I (CO(NH3)5HCO2)I2 (CO(NH3)5H2O)BR3 (CO(NH3)5H2O)CL3 (CO(NH3)5H2O)F3 (CO(NH3)5H2O)I3 (CO(C2H4(NH2)2)2CL2)CL*NH3 (CO(C2H4(NH2)2)(NH3)(NO2)3 (CO(NH3)4(NO2)2)CL (CO(NH3)4(NO2)2)I-CIS (CO(NH3)4(NO2)2)I-TRANS (CO(NH3)4(NO2)2)SO4-CIS (CO(NH3)5NO2)C2O4 (CO(NH3)5NO2)BR2 (CO(NH3)5NO2)CL2 (CO(NH3)5NO2)I2 (CO(NH3)5NO3)CL2 (CO(NH3)5NO3)I2 (CO(NH3)5SO4)NO3 (CO(NH3)5CO3)NO3*H2O (CO(NH3)6)BR2 (CO(NH3)6)BR3 (CO(NH3)6)CL2 (CO(NH3)6)CL3 (CO(NH3)6)I2 (CO(NH3)6)I3 (CO(C2H4(NH2)2)3)BR2 (CO(C2H4(NH2)2)3)CL2 (CO(C2H4(NH2)2)3)I2 (CO(C2H4(NH2)2)3)I3 (CO(NH3)3(NO2)3) NH4(CO(NH3)2(NO2)4) (CO(NH3)4(NO2)2)NO3 (CO(NH3)4(NO3)H2O)(NO3)2 (CO(NH3)5I)(NO3)2 (CO(C2H4(NH2)2)2(NO2)2)NO3-CIS (CO(NH3)5HCO2)(NO3)2 (CO(NH3)5CNS)(NO3)2 (CO(NH3)5NO2)(NO3)2 (CO(NH3)5NO3)(NO3)2 (CO(NH3)5H2O)(NO3)3 (CO(NH3)6)(NO3)3 (CO(C2H4(NH2)2)3)(NO3)3

Databanks • 1-189

SOLIDS Component Databank: Cr

1-190 • Databanks

Alias

Name

CONH2COOK COO2H2-B COO2H2-P1 COO2H2-P2 COO3H3 COSB COSE COSEO3*2W COSI COSI2 COSI3 COSO4*6W COSO4*7W COTE2

CONH2COOK CO(OH)2-BLUE,PRECIPITATED CO(OH)2-PINK,PRECIPITATED CO(OH)2-PINK,PRECIPITATED,AGED CO(OH)3-PRECIPITATED COSB COSE COSEO3*2H2O COSI COSI2 COSI3 COSO4*6H2O COSO4*7H2O COTE2

Alias

Name

CR CR2H16O20S3 CR2H28O26S3 CR2H30O27S3 CR2H32O28S3 CR2H34O29S3 CR2O3 CR2S3O12*18W CR2TE3 CR3TE4 CR5TE6 CR7H2 CRCL2*2W CRCL2*3W CRCL2*4W CRCL2N3H9 CRCL2N6H18 CRH11O7 CRH12O6BR3 CRH12O6BR3-G CRH12O6CL3 CRH12O6CL3-V CRH13O8 CRH20O10CL3 CRH8O4CL3 CRIBR2 CRICL2 CRN3O18H18 CRO3H3 CRSB CRSB2

CHROMIUM (CR2(H2O)6(SO4)3)*2H2O-GREEN (CR(H2O)6)2(SO4)3*2H2O (CR(H2O)6)2(SO4)3*3H2O (CR(H2O)6)2(SO4)3*4H2O (CR(H2O)6)2(SO4)3*5H2O ESKOLAITE CR2(SO4)3*18H2O CR2TE3 CR3TE4 CR5TE6 CR7H2 CRCL2*2H2O-LIGHT-GREEN CRCL2*3H2O-PALE-BLUE CRCL2*4H2O-DARK-BLUE CRCL2*3NH3 CRCL2*6NH3 (CR(H2O)4(OH)2)OH (CR(H2O)6)BR3-PURPLE (CR(H2O)4BR2)BR*2H2O-GREEN (CR(H2O)4CL2)CL*2H2O-GREEN (CR(H2O)6)CL3-VIOLET (CR(H2O)5OH)(OH)2 (CR(H2O)4CL2)CL*6H2O-GREEN (CR(H2O)4CL2)CL-GREEN CRIBR2 CRICL2 CR(NO3)3*9H2O CR(OH)3-PRECIPITATED CRSB CRSB2

Physical Property Data 11.1

SOLIDS Component Databank: Cs

Physical Property Data 11.1

Alias

Name

CS CS(UO2)2F5 CS12H22C7O31 CS2BAN4O8 CS2C2O4 CS2CO3 CS2CO3*3W CS2COCL4 CS2CR2O7 CS2CRO4 CS2CUCL4 CS2CUCL4*2W CS2FECL4 CS2GECL6 CS2HFCL6 CS2I8 CS2MNCL4 CS2MO2O7 CS2MOO4 CS2NACECL6 CS2NADYCL6 CS2NAERCL6 CS2NAGDCL6 CS2NALACL6 CS2NALUCL6 CS2NANDCL6 CS2NAPUCL6 CS2NAYCL6 CS2NBOCL5 CS2NPBR6 CS2NPCL6 CS2PACL6 CS2PTCL4 CS2PUCL6 CS2RECL6 CS2S CS2S2O5 CS2SEO3*W CS2SEO4 CS2SNCL6 CS2SO3 CS2TEBR6 CS2TEO3 CS2TEO3*5W CS2THCL6 CS2THCL6*8W CS2TIBR6

CESIUM CS(UO2)2F5 5CS2CO3*2CSHCO3*10H2O BA(NO2)2*2CSNO2 CS2C2O4 CESIUM-CARBONATE CS2CO3*3H2O CS2COCL4 CS2CR2O7 CS2CRO4 CS2CUCL4 CS2CUCL4*2H2O CS2FECL4 CS2GECL6 CS2HFCL6 CS2I8 CS2MNCL4 CS2MO2O7 CS2MOO4 CS2NACECL6 CS2NADYCL6 CS2NAERCL6 CS2NAGDCL6 CS2NALACL6 CS2NALUCL6 CS2NANDCL6 CS2NAPUCL6 CS2NAYCL6 CS2NBOCL5 CS2NPBR6 CS2NPCL6 CS2PACL6 CS2PTCL4 CS2PUCL6 CS2RECL6 CS2S CS2S2O5 CS2SEO3*H2O CS2SEO4 CS2SNCL6 CS2SO3 CS2TEBR6 CS2TEO3 CS2TEO3*5H2O CS2THCL6 CS2THCL6*8H2O CS2TIBR6

Databanks • 1-191

1-192 • Databanks

Alias

Name

CS2TICL4 CS2TICL6 CS2U2O7 CS2UBR6 CS2UCL6 CS2UO4 CS2ZNBR4 CS2ZNCL4 CS2ZNI4 CS2ZRBR6 CS2ZRCL6 CS3COCL5 CS3CR2CL9 CS3CRCL6 CS3CUCL5 CS3FECL5 CS3MNCL5 CS3NICL5 CS3TI2BR9 CS3TIBR6 CS3UO2F5 CS3V2CL9 CS3VCL6 CS4THCL8 CS5U2O4F9 CSALH4 CSALS2O8*12W CSB(CLO4)4 CSBA2N5O10 CSBCL4 CSBF4 CSBO2 CSBR2CL CSBR3 CSBRCL2 CSBRO3 CSC10 CSC24 CSC36 CSC48 CSC60 CSC72 CSC8 CSCACL3 CSCL*ZNSO4 CSCLO3 CSCLO4

CS2TICL4 CS2TICL6 CS2U2O7 CS2UBR6 CS2UCL6 CS2UO4 CS2ZNBR4 CS2ZNCL4 CS2ZNI4 CS2ZRBR6 CS2ZRCL6 CS3COCL5 CS3CR2CL9 CS3CRCL6 CS3CUCL5 CS3FECL5 CS3MNCL5 CS3NICL5 CS3TI2BR9 CS3TIBR6 CS3UO2F5 CS3V2CL9 CS3VCL6 CS4THCL8 CS5(UO2)2F9 CSALH4 CSAL(SO4)2*12H2O CSB(CLO4)4 CSNO2*2BA(NO2)2 CSBCL4 CSBF4 CSBO2 CSBR2CL CSBR3 CSBRCL2 CSBRO3 CSC10 CSC24 CSC36 CSC48 CSC60 CSC72 CSC8 CSCACL3 CSCL*ZNSO4 CSCLO3 CSCLO4

Physical Property Data 11.1

Physical Property Data 11.1

Alias

Name

CSCN CSCOCL3 CSCUCL3 CSF*1.5W CSFECL3 CSGDFEC6N6 CSH CSH2PO4 CSHC2 CSHCO3 CSHF2 CSHS CSHSE CSHSO4 CSI*3SO2 CSI2BR CSI3 CSI4 CSIBR2 CSIBRCL CSIBRF CSICL2 CSICL4 CSIO3 CSIO4 CSKCLI CSMNCL3 CSMOF6 CSN3 CSNACLI CSNB2OCL9 CSNBCL6 CSNBO3 CSNH2 CSNICL3 CSNO3 CSOH*W CSPF6 CSPO3 CSPTNH3CL3 CSREO4 CSSO2F CSTACL6 CSTIBR3 CSTICL3 CSU2CL9 CSUCL5

CSCN CSCOCL3 CSCUCL3 CSF*1.5H2O CSFECL3 CSGD(FE(CN)6) CSH CSH2PO4 CSHC2 CSHCO3 CSHF2 CSHS CSHSE CSHSO4 CSI*3SO2 CSI2BR CSI3 CSI4 CSIBR2 CSIBRCL CSIBRF CSICL2 CSICL4 CSIO3 CSIO4 CSKCLI CSMNCL3 CSMOF6 CSN3 CSNACLI CSNB2OCL9 CSNBCL6 CSNBO3 CSNH2-TETRAGONAL CSNICL3 CSNO3 CSOH*H2O CSPF6 CSPO3 CSPTNH3CL3 CSREO4 CSSO2F CSTACL6 CSTIBR3 CSTICL3 CSU2CL9 CSUCL5

Databanks • 1-193

SOLIDS Component Databank: Cu

1-194 • Databanks

Alias

Name

CSUCL6 CSUF6 CSWF6 CSYFEC6N6*2W

CSUCL6 CSUF6 CSWF6 CSY(FE(CN)6)*2H2O

Alias

Name

CU CU2AL CU2AL2O4 CU2CD3 CU2CL2*C2H2 CU2CL2*CO*2W CU2CO5H2 CU2FEC6N6 CU2O CU2OCL2 CU2S CU3AL CU3AL2 CU3C2O8H2 CU3CL3*C2H2 CU3N CU3P2O8 CU3SB CU3SN CU3SO8H4 CU4BR2O12H6 CU4BR2O6H6 CU4CL2O3 CU4CL2O3*4W CU4CL2O6H6 CU4I2O12H6 CU4N2O12H6 CU4SO10H6 CU4SO10H6*W CUAL CUAL2 CUAL2O4 CUBR*1.5NH3 CUBR*2PH3 CUBR*3NH3 CUBR*NH3 CUBR*PH3 CUBR2*10NH3 CUBR2*2NH3 CUBR2*4W CUBR2*5NH3

COPPER CU2AL CU2AL2O4 CU2CD3 (CUCL)2*C2H2 (CUCL)2*CO*2H2O CUCO3*CU(OH)2 CU2FE(CN)6 DICOPPER-OXIDE CU2OCL2 DICOPPER-SULFIDE CU3AL CU3AL2 (CUCO3)2*CU(OH)2 (CUCL)3*C2H2 CU3N CU3(PO4)2 CU3SB CU3SN CUSO4*2CU(OH)2 CU(BRO3)2*3CU(OH)2 CUBR2*3CU(OH)2 CUCL2*3CUO CUCL2*3CUO*4H2O CUCL2*3CU(OH)2 CU(IO3)2*3CU(OH)2 CU(NO3)2*3CU(OH)2 CUSO4*3CU(OH)2 CUSO4*3CU(OH)2*H2O CUAL CUAL2 CUAL2O4 CUBR*1.5NH3 CUBR*2PH3 CUBR*3NH3 CUBR*NH3 CUBR*PH3 CUBR2*10NH3 CUBR2*2NH3 CUBR2*4H2O CUBR2*5NH3

Physical Property Data 11.1

Physical Property Data 11.1

Alias

Name

CUBR2*6NH3 CUC2H2O4 CUC2H2O4*4W CUC2O4 CUC4H12O4N2 CUC4H12O6N2 CUC4H14N4O4 CUC4H24O4N6 CUC4H24O6N6 CUC4H6O4 CUC4H6O4*W CUC4H6O6 CUCL*1.5NH3 CUCL*2PH3 CUCL*3NH3 CUCL*NH3 CUCL*PH3 CUCL2*10NH3 CUCL2*2NH3 CUCL2*2W CUCL2*4NH3W2 CUCL2*5NH3 CUCL2*6NH3 CUCL2C2H8O2 CUCL2C4H12O2 CUCL2O8*6W CUCL4N2H8 CUCL4N2H8*2W CUCNS CUH CUH14C2O4N4 CUH20C2O4N6 CUH8C2O4N2 CUI*0.5NH3 CUI*2NH3 CUI*2PH3 CUI*3NH3 CUI*NH3 CUI*PH3 CUI2O6*W CUN2H8C4O4*W CUN2H8C4O4-A CUN2H8C4O4-B CUN2O6 CUN2O6*3W CUN2O6*6W CUN3

CUBR2*6NH3 CU(CHO2)2 CU(CHO2)2*4H2O COPPER-OXALATE CU(CH3COO)2*2NH3 CU(CH2OHCOO)2*2NH3 CU(CH2NH2COO)2*2NH3 CU(CH3COO)2*6NH3 CU(CH2OHCOO)2*6NH3 CU(CH3COO)2 CU(CH3COO)2*H2O CU(CH2OHCOO)2 CUCL*1.5NH3 CUCL*2PH3 CUCL*3NH3 CUCL*NH3 CUCL*PH3 CUCL2*10NH3 CUCL2*2NH3 CUCL2*2H2O CUCL2*4NH3*2H2O CUCL2*5NH3 CUCL2*6NH3 CUCL2*2CH3OH CUCL2*2C2H5OH CU(CLO4)2*6H2O CUCL2*2NH4CL CUCL2*2NH4CL*2H2O CUCNS CUH CU(HCOO)2*4NH3 CU(HCOO)2*6NH3 CU(HCOO)2*2NH3 CUI*0.5NH3 CUI*2NH3 CUI*2PH3 CUI*3NH3 CUI*NH3 CUI*PH3 CU(IO3)2*H2O CU(NH2CH2COO)2*H2O CU(NH2CH2COO)2-ALPHA CU(NH2CH2COO)2-BETA CU(NO3)2 CU(NO3)2*3H2O CU(NO3)2*6H2O CUN3

Databanks • 1-195

Alias

Name

CUN4H12SO4 CUN4H15SO5.5 CUN4H18C4O4 CUN4H18C4O6 CUN6 CUN6H12O6 CUN6H20C4O4 CUO CUO*CUSO4 CUONC CURB2CL4 CURB2CL4*4W CUS2O10N2H12 CUS2O14N2H20 CUS2O6*5W CUS2O8N2H8 CUSE2 CUSEO4 CUSEO4*5W CUSO4 CUSO4*2CH3OH CUSO4*2NH3 CUSO4*5NH3 CUSO4*NH3 CUWO4 CUWO4*2H2O

(CU(NH3)4)SO4 (CU(NH3)4)SO4*1.5H2O CU(NH3)4(CH3COO)2 CU(NH3)4(CH2OHCOO)2 CU(N3)2 CU(NH3)4(NO3)2 CU(NH3)4(CH2NH2COO)2 COPPER-MONOXIDE CUO*CUSO4 CUONC CUCL2*2RBCL CUCL2*2RBCL*4H2O CUSO4*(NH4)2SO4*2H2O CUSO4*(NH4)2SO4*6H2O CUS2O6*5H2O CUSO4*(NH4)2SO4 CUSE2 CUSEO4 CUSEO4*5H2O COPPER-SULFATE CUSO4*2CH3OH CUSO4*2NH3 CUSO4*5NH3 CUSO4*NH3 CUWO4 CUWO4*2H2O

SOLIDS Component Databank: Dy

Alias

Name

DY2C6O12*10W DY2O3*CO2 DYAS DYBR3O9*9W DYC6H9O6 DYCO5 DYI3O9 DYOCL

DY2(C2O4)3*10H2O DY2O3*CO2 DYAS DY(BRO3)3*9H2O DY(CH3CO2)3 DYCO5 DY(IO3)3 DYOCL

SOLIDS Component Databank: Er

Alias

Name

ER2C6O12*6W ERBR3O9*9W ERH2 ERH3 ERI3O9 EROCL

ER2(C2O4)3*6H2O ER(BRO3)3*9H2O ERH2 ERH3 ER(IO3)3 EROCL

1-196 • Databanks

Physical Property Data 11.1

SOLIDS Component Databank: Eu

Alias

Name

EU2S3O12*8W EUBR3O9*9W EUC2 EUCL2 EUF3*H2O EUI3O9 EUN3O9*6W EUO3H3

EU2(SO4)3*8H2O EU(BRO3)3*9H2O EUC2 EUCL2 EUF3*H2O EU(IO3)3 EU(NO3)3*6H2O EU(OH)3

SOLIDS Component Databank: Fe

Alias

Name

FE FE1.042SE FE1.111TE FE2(WO4)3*8W FE2CDO4 FE2I6PB FE2MO3O12 FE2O3 FE2OC6N5 FE2P FE2ZNO4 FE3C FE3O4 FE3P FE3SE4 FE3SI FE5SI3 FE7C18N18 FE7S8 FE7SE8 FE7W6 FEAL FEAL2 FEAL3 FEASS FEBR2*2NH3 FEBR2*6NH3 FEBR2*NH3 FEBR3*6NH3 FEBRCL2 FEC2O4*2W FEC4O4BR2 FEC4O4I2 FEC6N5H5O2 FECD2C6N6*7W FECL2 FECL2*10NH3

IRON FE1.042SE FE1.111TE FE2(WO4)3*8H2O CDFE2O4 (FEI2)2*PBI2 FE2(MOO4)3 HEMATITE FE2CO(CN)5 FE2P DIIRON-ZINC-TETRAOXIDE TRIIRON-CARBIDE MAGNETITE FE3P FE3SE4 FE3SI FE5SI3 FE4(FE(CN)6)3 FE7S8-SULFUR-RICH-PYRRHOTITE FE7SE8 FE7W6 FEAL FEAL2 FEAL3 FEASS FEBR2*2NH3 FEBR2*6NH3 FEBR2*NH3 FEBR3*6NH3 FEBRCL2 FEC2O4*2H2O FE(CO)4BR2 FE(CO)4I2 H3FECO(CN)5*H2O CD2FE(CN)6*7H2O FERROUS-CHLORIDE FECL2*10NH3

Physical Property Data 11.1

Databanks • 1-197

1-198 • Databanks

Alias

Name

FECL2*2NH3 FECL2*2W FECL2*4W FECL2*6NH3 FECL2*NH3 FECL2O8*6W FECL3 FECL3*6NH3 FECL3*6W FECO2O4 FECO3 FECR2O4 FEH4C6N6 FEI2*2NH3 FEI2*6NH3 FEN10H28C6O6 FEN3O9*9W FEO FEO2H FEP FEP2 FEPB2C6N6*3W FEPO4*2W FES FES2 FES2-2 FESB FESB2 FESE FESE2 FESIO3 FESO4*2NH3 FESO4*3NH3 FESO4*4NH3 FESO4*4W FESO4*6NH3 FESO4*7W FESO4*NH3 FESO4*W FETE FETL4C6N6*2W FEWO4*3H2O FEZN2C6N6*2W

FECL2*2NH3 FECL2*2H2O FECL2*4H2O FECL2*6NH3 FECL2*NH3 FE(CLO4)2*6H2O FERRIC-CHLORIDE FECL3*6NH3 FECL3*6H2O FECO2O4 IRON-CARBONATE FECR2O4 H4FE(CN)6 FEI2*2NH3 FEI2*6NH3 (NH4)4FE(CN)6*6H2O FE(NO3)3*9H2O FERROUS-OXIDE FEO(OH) FEP FEP2 PB2FE(CN)6*3H2O FEPO4*2H2O IRON-MONOSULFIDE IRON-DISULFIDE-PYRITE IRON-DISULFIDE-MARCASITE FESB FESB2 FESE FESE2 IRON-METASILICATE FESO4*2NH3 FESO4*3NH3 FESO4*4NH3 FESO4*4H2O FESO4*6NH3 FESO4*7H2O FESO4*NH3 FESO4*H2O FETE TL4FE(CN)6*2H2O FEWO4*3H2O ZN2FE(CN)6*2H2O

Physical Property Data 11.1

SOLIDS Component Databank: Ga

Alias

Name

GA2BR6*CH3BR GA2CL6*CH3CL GA2CL7C2H5 GA2S3O12 GABR3*14NH3 GABR3*5NH3 GABR3*6NH3 GABR3*7NH3 GABR3*9NH3 GABR3*CH3BR GABR3*NH3 GACH3I2 GACL3*14NH3 GACL3*3NH3 GACL3*5NH3 GACL3*6NH3 GACL3*7NH3 GACL3*CH3CL GACL3*NH3 GACL3*PCL3 GACL3*POCL3 GACL3C3H6O GACL3C4H10O GACL3C8H20O GACL4C2H3O GAF3*3LIF GAI3*13NH3 GAI3*20NH3 GAI3*5NH3 GAI3*6NH3 GAI3*7NH3 GAI3*9NH3 GAI3*NH3 GAN GAO3H3 GAPO4

(GABR3)2*CH3BR (GACL3)2*CH3CL (GACL3)2*C2H5CL GALLIUM-SULFATE GABR3*14NH3 GABR3*5NH3 GABR3*6NH3 GABR3*7NH3 GABR3*9NH3 GABR3*CH3BR GABR3*NH3 GACH3I2 GACL3*14NH3 GACL3*3NH3 GACL3*5NH3 GACL3*6NH3 GACL3*7NH3 GACL3*CH3CL GACL3*NH3 GACL3*PCL3 GACL3*POCL3 GACL3*(CH3)2CO GACL3*(C2H5)2O GACL3*2(C2H5)2O GACL3*CH3COCL GAF3*3LIF GAI3*13NH3 GAI3*20NH3 GAI3*5NH3 GAI3*6NH3 GAI3*7NH3 GAI3*9NH3 GAI3*NH3 GALLIUM-NITRIDE GALLIUM-HYDROXIDE GALLIUM-PHOSPHATE

SOLIDS Component Databank: Gd

Alias

Name

GD2C6O12*10W GD2S3O12*8W GDAL2 GDAS GDBR3O9*9W GDC2 GDCL3*6W GDF3*W GDH2

GD2(C2O4)3*10H2O GD2(SO4)3*8H2O GDAL2 GDAS GD(BRO3)3*9H2O GDC2 GDCL3*6H2O GDF3*H2O GDH2

Physical Property Data 11.1

Databanks • 1-199

SOLIDS Component Databank: H

1-200 • Databanks

Alias

Name

GDI3O9 GDN3O9*6W GDPO4*W

GD(IO3)3 GD(NO3)3*6H2O GDPO4*H2O

Alias

Name

H2MOO4 H2MOO4*W H2O H2O(S) H2PTBR6*9W H2PTCL6*6W H2RECL4 H2S2O7 H2SEO3 H2SEO4 H2SEO4*W H2SI2O5 H2SIO3 H3BO3 H3PO2 H3PO3 H3PO4 H3PO4*0.5W H3PO4*HCLO4 H3PO4*W H4P2O7 H4P2O7*1.5W H4SIO4 H6SI2O7 H6TEO6 HAUBR4*5W HAUCL4*3W HAUCL4*4W HBO2-C HBO2-M HCLO4*W HCO2NH4 HCOOK HCOONA HCOONA*2W HCOONA*3W HIO3 HPO3 HPTCL5*2W

H2MOO4-WHITE H2MOO4*H2O-YELLOW WATER ICE H2PTBR6*9H2O H2PTCL6*6H2O H2RECL4 H2S2O7 SELENIOUS-ACID SELENIC-ACID SELENIC-ACID-HYDRATE DISILICIC-ACID METASILICIC-ACID HYDROGEN-ORTHOBORATE HYPOPHOSPHOROUS-ACID PHOSPHOROUS-ACID ORTHOPHOSPHORIC-ACID H3PO4*0.5H2O H3PO4*HCLO4 ORTHOPHOSPHORIC-ACID-HYDRATE PYROPHOSPHORIC-ACID H4P2O7*1.5H2O H4SIO4 H6SI2O7 H6TEO6 HAUBR4*5H2O HAUCL4*3H2O HAUCL4*4H2O METABORIC-ACID-CUBIC METABORIC-ACID-MONOCLINIC PERCHLORIC-ACID-HYDRATE AMMONIUM-FORMATE HCOOK HCOONA HCOONA*2H2O HCOONA*3H2O IODIC-ACID METAPHOSPHORIC-ACID HPTCL5*2H2O

Physical Property Data 11.1

SOLIDS Component Databank: Hg

Physical Property Data 11.1

Alias

Name

HG MERCURY HG2BR2N2H4 NHG2BR*NH4BR HG2BR2O HGBR2*HGO HG2BR4N4H12 NHG2BR*3NH4BR HG2C2N2O HG(CN)2*HGO HG2C2N2S2 HG2(CNS)2 HG2C2O4 HG2C2O4 HG2C4H6O4 HG2(CH3COO)2 HG2CL2*2NH3 HG2CL2*2NH3 HG2CL2N2H4 NHG2CL*NH4CL HG2CL4N4H12 NHG2CL*3NH4CL HG2CO3 HG2CO3 HG2N2O6*2W HG2(NO3)2*2H2O HG2N6 HG2(N3)2 HG2SEO3 HG2SEO3 HG3BR2O2 HGBR2*2HGO HG3N2O8*W HG(NO3)2*2HGO*H2O HG3SO6 HGSO4*2HGO HG4BR2O3 HGBR2*3HGO HG4C6N6O (HG(CN)2)3*HGO HG4CL2N2*2W (NHG2CL)2*2H2O HG4CL2N2*W (NHG2CL)2*H2O HG4CL2N3H3 (NHG2CL)2*NH3 HG4CL2N4H6 (NHG2CL)2*2NH3 HG4N2O (HG2N)2O HG4N2O*4W (HG2N)2O*4H2O HG4N2O*W (HG2N)2O*H2O HG5BR2O4 HGBR2*4HGO HG5BR4N2 (NHG2BR)2*HGBR2 HG5CL4N2 (NHG2CL)2*HGCL2 HG5TL2 HG5TL2 HG9BR6N4 (NHG2BR)4*HGBR2 HGBR2*2NH3 HGBR2*2NH3 HGBR2*8NH3 HGBR2*8NH3 HGBR2C2N2H8 HGBR2*C2H4(NH2)2 HGC2H2CL2 HGCLCHCHCL HGC2H5BR HGC2H5BR HGC2H5CL HGC2H5CL HGC2H5I HGC2H5I HGC2N2 HG(CN)2 HGC2N3H4BR*W HG(CN)2*NH4BR*H2O HGC2O4 HGC2O4 HGC4H6O4 HG(CH3COO)2 HGCH3BR HGCH3BR HGCH3CL HGCH3CL HGCH3I HGCH3I HGCL2*2:3NH3 HGCL2*2:3NH3

Databanks • 1-201

Alias

Name

HGCL2*2NH3 HGCL2*8NH3 HGCL2*9.5NH3 HGCL2C2N2H8 HGCL2CH3OH HGCL3NO HGI2*2NH3 HGI2*4:3NH3 HGI2*6NH3 HGI2*C2H8N2 HGINO3 HGN2O6*0.5W HGO2N2C2

HGCL2*2NH3 HGCL2*8NH3 HGCL2*9.5NH3 HGCL2*C2H4(NH2)2 HGCL2CH3OH HGCL2*NOCL HGI2*2NH3 HGI2*4:3NH3 HGI2*6NH3 HGI2*C2H4(NH2)2 HGINO3 HG(NO3)2*0.5H2O HG(ONC)2

SOLIDS Component Databank: Ho

Alias

Name

HO2C3 HOAS HOBR3O9*9W HOC2 HOI3 HOI3O9 HOOCL

HO2C3 HOAS HO(BRO3)3*9H2O HOC2 HOI3 HO(IO3)3 HOOCL

SOLIDS Component Databank: In

Alias

Name

IN3S4 IN4S5 INBR3*15NH3 INBR3*3NH3 INBR3*5NH3 INBR3*7NH3 INBR3C4H12S INCL3*15NH3 INCL3*2NH3 INCL3*3NH3 INCL3*5NH3 INCL3*7NH3 INCL3*NH3 INCL3C4H12S INI3*13NH3 INI3*21NH3 INI3*2NH3 INI3*5NH3 INI3*7NH3 INI3*9NH3 INI3C4H12S

IN3S4 IN4S5 INBR3*15NH3 INBR3*3NH3 INBR3*5NH3 INBR3*7NH3 INBR3*2(CH3)2S INCL3*15NH3 INCL3*2NH3 INCL3*3NH3 INCL3*5NH3 INCL3*7NH3 INCL3*NH3 INCL3*2(CH3)2S INI3*13NH3 INI3*21NH3 INI3*2NH3 INI3*5NH3 INI3*7NH3 INI3*9NH3 INI3*2(CH3)2S

1-202 • Databanks

Physical Property Data 11.1

SOLIDS Component Databank: K

Physical Property Data 11.1

Alias

Name

K K(UO2)2F5 K2AL(NO3)5 K2B3F4O3OH K2B4O7*4W K2BA(CO3)2 K2BA(NO2)4 K2BA(NO3)4 K2BA(SO4)2-A K2BA(SO4)2-F K2BACL4 K2BECL4 K2BEF4 K2C2O4 K2C2O4*W K2CA(SO4)2*W K2CA5S6O24*W K2CAP2O7 K2CDFEC6N6 K2CDI4*2W K2CDS2O9.5H3 K2CO3 K2CO3*1.5W K2CO3*COCO3 K2COC2O6*4W K2CR2O7 K2CR3O10 K2CRCL4 K2CU(CO3)2 K2CU(HCO3)4 K2CU(SO4)2 K2CU2FEC6N6 K2CUCL3 K2CUCL4 K2CUCL4*2W K2CUS2O8*.5W K2CUS2O8*2W K2CUS2O8*6W K2GEF6 K2H2P2O7 K2HFCL6 K2HG(CN)4 K2HGBR4 K2HGCL4 K2HGCL4*W K2HGI4 K2IRCL6

POTASSIUM K(UO2)2F5 K2AL(NO3)5 K2B3F4O3OH K2B4O7*4H2O K2CO3*BACO3-AGED 2KNO2*BA(NO2)2 2KNO3*BA(NO3)2 K2SO4*BASO4-AGED K2SO4*BASO4-FUSE K2BACL4-FUSE K2BECL4 K2BEF4 K2C2O4 K2C2O4*H2O K2SO4*CASO4*H2O K2SO4*5CASO4*H2O K2CAP2O7 K2CDFE(CN)6 K2CDI4*2H2O K2CD(SO4)2*1.5H2O POTASSIUM-CARBONATE K2CO3*1.5H2O K2CO3*COCO3 K2CO3*COCO3*4H2O K2CR2O7 K2CR3O10 K2CRCL4 K2CU(CO3)2 K2CU(HCO3)4 K2CU(SO4)2-BLUE K2CU2FE(CN)6 K2CUCL3 K2CUCL4 K2CUCL4*2H2O K2CU(SO4)2*0.5H2O K2CU(SO4)2*2H2O K2CU(SO4)2*6H2O K2GEF6 K2H2P2O7 K2HFCL6 K2HG(CN)4 K2HGBR4 K2HGCL4 K2HGCL4*H2O K2HGI4 K2IRCL6

Databanks • 1-203

1-204 • Databanks

Alias

Name

K2LACL5 K2LI2(SO4)2 K2LI2B12O20 K2LI2B16O26 K2LI2B8O14 K2LI6B16O28 K2LI6B24O40 K2LI6B32O52 K2MG(SEO4)2 K2MG2(SO4)3 K2MGCL4*2KCL K2MGCL4-A K2MGCL4-F K2MGS2O8 K2MGS2O8*2W K2MGS2O8*4W K2MGS2O8*6W K2MNS2O8 K2MNS2O8*2W K2MNS2O8*4W K2MO2O7 K2MO3O10 K2MO4O13 K2MOCL6 K2MOO4 K2NA2B12O20 K2NA2B16O26 K2NA2B8O14 K2NA6B16O28 K2NA6B24O40 K2NA6B32O52 K2NBOBR5 K2NBOCL5 K2O K2O*3B2O3 K2O*4B2O3 K2O*B2O3 K2OSCL6 K2PB(SO4)2 K2PBI4 K2PBI4*2W K2PDBR4 K2PDCL4 K2PDCL6 K2PRCL5 K2PT(NO2)4 K2PTBR4

K2LACL5 K2SO4*LI2SO4 K2O*LI2O*6B2O3 K2O*LI2O*8B2O3 K2O*LI2O*4B2O3 K2O*3LI2O*8B2O3 K2O*3LI2O*12B2O3 K2O*3LI2O*16B2O3 K2MG(SEO4)2 K2SO4*2MGSO4 K2MGCL4*2KCL K2MGCL4-AGED-2-MONTHS K2MGCL4-FUSED K2MG(SO4)2-AGED K2MG(SO4)2*2H2O K2MG(SO4)2*4H2O K2MG(SO4)2*6H2O K2MN(SO4)2 K2MN(SO4)2*2H2O K2MN(SO4)2*4H2O K2MO2O7 K2MO3O10 K2MO4O13 K2MOCL6 K2MOO4 K2O*NA2O*6B2O3 K2O*NA2O*8B2O3 K2O*NA2O*4B2O3 K2O*3NA2O*8B2O3 K2O*3NA2O*12B2O3 K2O*3NA2O*16B2O3 K2NBOBR5 K2NBOCL5 POTASSIUM-OXIDE K2O*3B2O3 K2O*4B2O3 K2O*B2O3 K2OSCL6 K2PB(SO4)2 K2PBI4 K2PBI4*2H2O K2PDBR4 K2PDCL4 K2PDCL6 K2PRCL5 K2PT(NO2)4 K2PTBR4

Physical Property Data 11.1

Physical Property Data 11.1

Alias

Name

K2PTBR6 K2PTCL4 K2PTCL6 K2PTI6 K2PTN2O4CL2 K2PTN3O6CL K2PTNO2CL3 K2REBR6 K2RECL6 K2S*2W K2S*5W K2S2 K2S2O3 K2S2O3*W K2S2O5 K2S2O5*0.5W K2S2O6 K2S2O7 K2S2O8 K2S3 K2S3O6 K2S4 K2S4*0.5W K2S4*2W K2S4O6 K2S5 K2S5O6*1.5W K2S6 K2SE K2SE*14W K2SE*19W K2SE*9W K2SEO3 K2SEO4 K2SIF6 K2SMCL5 K2SNBR6 K2SNCL6 K2SNCL6*W K2SNOCL4 K2SO4 K2SR(SO4)2 K2SRCL4 K2TACL6 K2TE2O5 K2TE4O9 K2TE4O9*4W

K2PTBR6 K2PTCL4 K2PTCL6 K2PTI6 K2PT(NO2)2CL2 K2PT(NO2)3CL K2PT(NO2)CL3 K2REBR6 K2RECL6 K2S*2H2O K2S*5H2O K2S2 K2S2O3 K2S2O3*H2O K2S2O5 K2S2O5*0.5H2O K2S2O6 K2S2O7 K2S2O8 K2S3 K2S3O6 K2S4 K2S4*0.5H2O K2S4*2H2O K2S4O6 K2S5 K2S5O6*1.5H2O K2S6 K2SE K2SE*14H2O K2SE*19H2O K2SE*9H2O K2SEO3 K2SEO4 K2SIF6 K2SMCL5 K2SNBR6 K2SNCL6 K2SNCL6*H2O K2SNOCL4 POTASSIUM-SULFATE K2SO4*SRSO4-FUSED K2SRCL4-FUSED K2TACL6 K2TE2O5 K2TE4O9 K2TE4O9*4H2O

Databanks • 1-205

1-206 • Databanks

Alias

Name

K2TEBR6 K2TEO3 K2TEO3*3W K2THCL6 K2TICL6 K2TIO3 K2UCL6 K2UO4 K2WCL7 K2WO4 K2ZN(CN)4 K2ZN(SO4)2 K2ZNS2O8*2W K2ZNS2O8*6W K2ZRBR6 K2ZRCL6 K3AG2I5*W K3AGBR4*0.5W K3AGI4 K3AGI4*0.5W K3AL(NO3)6 K3AL2CL9 K3ALF6*3.5W K3AS K3BI K3CE2CL9 K3CECL6 K3CO(C2O4)3 K3CO(CN)6 K3COC6O12*3W K3CR2CL9 K3CRC6O12 K3CRC6O12*3W K3CRCL6 K3CRO4F K3FE(CN)6 K3FEC6N5O K3IRCL6 K3ND2CL9 K3NDCL6 K3OSCL6 K3PR2CL9 K3PRCL6 K3SB K3SMCL6 K3TICL6 K3UO2F5

K2TEBR6 K2TEO3 K2TEO3*3H2O K2THCL6 K2TICL6 K2TIO3 K2UCL6 K2UO4 K2WCL7 K2WO4 K2ZN(CN)4 K2ZN(SO4)2 K2ZN(SO4)2*2H2O K2ZN(SO4)2*6H2O K2ZRBR6 K2ZRCL6 K3AG2I5*H2O K3AGBR4*0.5H2O K3AGI4 K3AGI4*0.5H2O K3AL(NO3)6 K3AL2CL9 K3ALF6*3.5H2O K3AS K3BI K3CE2CL9 K3CECL6 K3(CO(C2O4)3) K3CO(CN)6 K3(CO(C2O4)3)*3H2O K3CR2CL9 K3CR(C2O4)3 K3CR(C2O4)3*3H2O K3CRCL6 K3CRO4F K3FE(CN)6 K3FECO(CN)5 K3IRCL6 K3ND2CL9 K3NDCL6 K3OSCL6 K3PR2CL9 K3PRCL6 K3SB K3SMCL6 K3TICL6 K3UO2F5

Physical Property Data 11.1

Physical Property Data 11.1

Alias

Name

K3V2CL9 K3VCL6 K4BA(SO4)3 K4CA(NO3)6 K4CDCL6 K4FE(CN)6 K4FEC6N6*3W K4PB3I10 K4PB3I10*6W K4SR(SO4)3 K5AS4 K5SB4 K6EU4S9O36 K6EU4S9O36W8 K6NA2B16O28 K6NA2B24O40 K6NA2B32O52 KAG(CN)2 KAGBR2 KAGCL2 KAGI2 KAL(SEO4)2 KAL(SO4)2 KAL(SO4)2*3W KAL2BR7 KAL2H5P2O11 KALBR4 KALCL4*6NH3 KALH4 KALS2O8*12W KALSE2O8*12W KAOLINITE KAS KAS2 KB5O8*4W KBA2(NO2)5 KBCL4 KBF3OH KBF4 KBH4 KBR KBR*ALCL3 KBR*ZNSO4 3KBR*2SBBR3 KBRO3 KBRO4 KC10

K3V2CL9 K3VCL6 2K2SO4*BASO4-FUSED 4KNO3*CA(NO3)2 K4CDCL6 K4FE(CN)6 K4FE(CN)6*3H2O 4KI*3PBI2 4KI*3PBI2*6H2O 2K2SO4*SRSO4-FUSED K5AS4 K5SB4 3K2SO4*2EU2(SO4)3 3K2SO4*2EU2(SO4)3*8H2O 3K2O*NA2O*8B2O3 3K2O*NA2O*12B2O3 3K2O*NA2O*16B2O3 KAG(CN)2 KAGBR2 KAGCL2 KAGI2 KAL(SEO4)2 POTASSIUM-ALUMINIUM-SULFATE KAL(SO4)2*3H2O KAL2BR7 KAL2(PO4)2OH*2H2O KALBR4 KALCL4*6NH3 KALH4 KAL(SO4)2*12H2O KAL(SEO4)2*12H2O AL2SI2O7*2H2O KAS KAS2 KB5O8*4H2O KNO2*2BA(NO2)2 KBCL4 KBF3OH KBF4 KBH4 POTASSIUM-BROMIDE KBR*ALCL3 KBR*ZNSO4 3KBR*2SBBR3 KBRO3 KBRO4 KC10

Databanks • 1-207

Alias

Name

KC24 KC24 KC36 KC36 KC4 KC4 KC48 KC48 KC60 KC60 KC8 KC8 KCACL3 KCACL3 KCAFEC6N6*5W KCAFE(CN)6*5H2O KCD3BR7*4W KBR*3CDBR2*4H2O KCD3CL7*4W KCL*3CDCL2*4H2O KCDBR3*W KCDBR3*H2O KCDCL3 KCDCL3 KCDCL3*W KCDCL3*H2O KCDI3*W KCDI3*H2O KCE3CL10 KCE3CL10 KCECL4 KCECL4 KCEFEC6N6*2W KCEFE(CN)6*2H2O KCL POTASSIUM-CHLORIDE KCL*2ALBR3 KCL*2ALBR3 KCL*2PBCL2 KCL*2PBCL2 KCL*ALBR3 KCL*ALBR3 KCL*MGSO4*3W KCL*MGSO4*3H2O KCL*ZNSO4 KCL*ZNSO4 KCLBRI KCLBRI KCLO3 POTASSIUM-CHLORATE KCNO KCNO KCNS KCNS KCNS*0.5SO2 KCNS*0.5SO2 KCNS*2SO2 KCNS*2SO2 KCOF3 KCOF3 KCON4C2O8H6 K(CO(NH3)2(NO2)2C2O4) KCOO8N6H6 K(CO(NH3)2(NO2)4) KCRCL3 KCRCL3 KCRO3CL KOCRO2CL KCRS2O8*1.5W KCR(SO4)2*1.5H2O KCRS2O8*12W KCR(SO4)2*12H2O KCRS2O8*6W KCR(SO4)2*6H2O KCUCL3 KCUCL3 KCUF3 KCUF3 KERCL4 KERCL4 KEUS2O8 KEU(SO4)2 KEUS2O8*W KEU(SO4)2*H2O KF*2HF KF*2HF KF*2W KF*2H2O KF*3HF KF*3HF KF*BRF3 KF*BRF3 KFECL4 KFECL4

1-208 • Databanks

Physical Property Data 11.1

Physical Property Data 11.1

Alias

Name

KGDFEC6N6 KH2ASO4 KH3C2O3 KH3C2O3*0.5W KH3C4O8 KH3C4O8*2W KHCO3 KHF2 KHG(CN)2BR KHG(CN)2CL KHG(CN)2CL*W KHG(CN)2I KHGBR3 KHGBR3*W KHGCL3 KHGCL3*W KHGI3 KHGI3*W KHS KHS*0.25W KHSE KHSO4 KI*4SO2 KI*ZNSO4 KI3 KIBR2 KIBR2*W KIO2F2 KIO3 KIO4 KLA3CL10 KLACL4 KLAFE(CN)6 KLICLI KMGCL3 KMGCL3*2W KMGCL3*6W KMGPO4*6W KMNCL3 KMNF3 KMNO4 KMOF6 KNABR2 KNACL2 KNACLI KNAI2 KNAUCL6

KGDFE(CN)6 KH2ASO4 CH2OHCOOK CH2OHCOOK*0.5H2O KHC2O4*H2C2O4 KHC2O4*H2C2O4*2H2O POTASSIUM-BICARBONATE KHF2 KBR*HG(CN)2 KCL*HG(CN)2 KCL*HG(CN)2*H2O KI*HG(CN)2 KHGBR3 KHGBR3*H2O KHGCL3 KHGCL3*H2O KHGI3 KHGI3*H2O KHS KHS*0.25H2O KHSE KHSO4 KI*4SO2 KI*ZNSO4 KI3 KIBR2 KIBR2*H2O KIO2F2 KIO3 KIO4 KLA3CL10 KLACL4 KLAFE(CN)6 KLICLI KMGCL3 KMGCL3*2H2O KMGCL3*6H2O KMGPO4*6H2O KMNCL3 KMNF3 KMNO4 KMOF6 KNABR2 KNACL2 KNACLI KNAI2 KNAUCL6

Databanks • 1-209

1-210 • Databanks

Alias

Name

KNB2OCL9 KNBCL6 KNBO3 KNBOCL4 KNDCL4 KNH2 KNH3 KNH4CRO4 KNICL3 KNIF3 KNO2 KNO2*KOH KNO3 KNO3*KOH KOH KOH*2W KOH*W KPBCL3*1:3W KPF6 KPO3 KPRCL4 KPTNH3CL3 KPTNH3CL5 KREO4 KSB KSB2 KSO2F KSO3F KSR2CL5 KTACL6 LTAO2CL2 KTBS2O8 KTBS2O8*W KTCO4 KTHCL5*9W KTICL3 KUCL5 KUCL6 KUF6 KVCL3 KVO3 KVO4 KWCL6 KWF6 KYCL4 KZNF3

KNB2OCL9 KNBCL6 KNBO3 KNBOCL4 KNDCL4 KNH2 KNH3 KNH4CRO4 KNICL3 KNIF3 KNO2 KNO2*KOH POTASSIUM-NITRATE KNO3*KOH POTASSIUM-HYDROXIDE KOH*2H2O KOH*H2O KPBCL3*1:3H2O KPF6 KPO3 KPRCL4 KPT(NH3)CL3 KPTNH3CL5 KREO4 KSB KSB2 KSO2F KSO3F KSR2CL5 KTACL6 KTAO2CL2 KTB(SO4)2 KTB(SO4)2*H2O KTCO4 KTHCL5*9H2O KTICL3 KUCL5 KUCL6 KUF6 KVCL3 KVO3 KVO4 KWCL6 KWF6 KYCL4 KZNF3

Physical Property Data 11.1

SOLIDS Component Databank: La

Alias

Name

LA2C3N6 LA2C3O9 LA2C6O12*10W LA2S3O12 LA2S3O12*9W LA2SE3O9 LAAL2 LAB6 LABI LABR3O9*9W LABSALT LAC2 LACL3*7W LAF3*W LAH3C3O6 LAI3O9 LAINTE3 LAN3O9 LAN3O9*3W LAN3O9*4W LAN3O9*6W LASB

LA2(CN2)3 LA2(CO3)3 LA2(C2O4)3*10H2O LA2(SO4)3 LA2(SO4)3*9H2O LA2(SEO3)3 LAAL2 LAB6 LABI LA(BRO3)3*9H2O NA4CA(SO4)3*2H2O LAC2 LACL3*7H2O LAF3*H2O LA(HCO2)3 LA(IO3)3 LAINTE3 LA(NO3)3 LA(NO3)3*3H2O LA(NO3)3*4H2O LA(NO3)3*6H2O LASB

SOLIDS Component Databank: Li

Alias

Name

LI LI.05ZN.9F-A LI.05ZN.9F-Q LI0.5FE2.5O4 LI22SN5 LI2AL2SI8O20 LI2B2C4H18O LI2BECL4 LI2C2 LI2CRO4 LI2CRO4*2W LI2HFO3 LI2K6B16O28 LI2K6B24O40 LI2K6B32O52 LI2MOO4 LI2NH LI2O*2BEO LI2PBI4*4W LI2PTCL6 LI2S2 LI2SE*9W LI2SEO3*W

LITHIUM LI0.05ZN0.9FE2.05O4-ANNEALED LI0.05ZN0.9FE2.05O4-QUENCHED LI0.5FE2.5O4 LI22SN5 LI2AL2SI8O20 (LIBH4)2*(C2H5)2O LI2BECL4 LI2C2 LI2CRO4 LI2CRO4*2H2O LI2HFO3 LI2O*3K2O*8B2O3 LI2O*3K2O*12B2O3 LI2O*3K2O*16B2O3 LI2MOO4 LI2NH LI2O*2BEO LI2PBI4*4H2O LI2PTCL6 LI2S2 LI2SE*9H2O LI2SEO3*H2O

Physical Property Data 11.1

Databanks • 1-211

1-212 • Databanks

Alias

Name

LI2SEO4 LI2SEO4*W LI2SIF6 LI2SO3 LI2SO4*W LI2THCL6 LI2UCL6 LI2UO4 LI2WO4 LI3ALH6 LI3BI LI3PO4 LI3SB LI3SB2 LI4P2O7 LI4PUF8 LI4ZRO4 LI5I2O12 LI7PB2 LI7SN2 LI8ZRO6 LIAL LIAL5O8 LIALBR4 LIALCL4 LIALH4 LIALO2 LIBC4H16O2 LIBC6H22N2 LIBF4 LIBH4 LIBH4*2NH3 LIBH4*3NH3 LIBH4*4NH3 LIBH4*C2H6O LIBH4*C4H8O LIBH4*C6H14O LIBH4*NC3H9 LIBH4*NH3 2LIBH4*C2H6O LIBR*2NH3 LIBR*2W LIBR*3NH3 LIBR*5NH3 LIBR*NH3 LIBR*W LIBRO3

LI2SEO4 LI2SEO4*H2O LI2SIF6 LI2SO3 LI2SO4*H2O LI2THCL6 LI2UCL6 LI2UO4 LI2WO4 LI3ALH6 LI3BI LI3PO4 LI3SB LI3SB2 LI4P2O7 LI4PUF8 LI4ZRO4 LI5(IO6)2 LI7PB2 LI7SN2 LI8ZRO6 LIAL LIAL5O8 LIALBR4 LIALCL4 LIALH4 LITHIUM-ALUMINATE LIBH4*2((CH3)2O) LIBH4*2N(CH3)3 LIBF4 LIBH4 LIBH4*2NH3 LIBH4*3NH3 LIBH4*4NH3 LIBH4*(CH3)2O LIBH4*(CH2)4O LIBH4*(CH(CH3)2)2O LIBH4*N(CH3)3 LIBH4*NH3 (LIBH4)2*(CH3)2O LIBR*2NH3 LIBR*2H2O LIBR*3NH3 LIBR*5NH3 LIBR*NH3 LIBR*H2O LIBRO3

Physical Property Data 11.1

Physical Property Data 11.1

Alias

Name

LICL*2W LICL*3NH3 LICL*3W LICL*4NH3 LICL*NH3 LICL*W LICLO3 LICLO3*0.25W LICLO4*2N2H4 LICLO4*3W LICLO4*W LICSCLI LIH LIH2PO4 LIHF2 LIHG LIHG2 LIHG3 LIHS LII*2NH3 LII*2SO2 LII*2W LII*3NH3 LII*3W LII*4NH3 LII*NH3 LII*SO2 LII*W LIIO3 LIN3 LINBO3 LINH2 LINO2 LINO2*0.5W LINO2*W LINO3 LINO3*3W LIOC2H5 LIOH LIOH*W LIPB LIPO3 LIREO4 LIREO4*2W LIREO4*W LISN LITHCL5*8W

LICL*2H2O LICL*3NH3 LICL*3H2O LICL*4NH3 LICL*NH3 LICL*H2O LICLO3 LICLO3*0.25H2O LICLO4*2N2H4 LICLO4*3H2O LICLO4*H2O LICSCLI LITHIUM-HYDRIDE LIH2PO4 LIHF2 LIHG LIHG2 LIHG3 LIHS LII*2NH3 LII*2SO2 LII*2H2O LII*3NH3 LII*3H2O LII*4NH3 LII*NH3 LII*SO2 LII*H2O LIIO3 LIN3 LINBO3 LINH2 LINO2 LINO2*0.5H2O LINO2*H2O LITHIUM-NITRATE LINO3*3H2O LIOC2H5 LITHIUM-HYDROXIDE LIOH*H2O LIPB LIPO3 LIREO4 LIREO4*2H2O LIREO4*H2O LISN LITHCL5*8H2O

Databanks • 1-213

Alias

Name

LITL LIUO2ASO4 LIUO5 LIWF6

LITL LIUO2ASO4 LI4UO5 LIWF6

SOLIDS Component Databank: Lu

Alias

Name

LUAS LUBR3O9*9W LUCL3 LUCL3*6W LUI3 LUI3O9 LUN3O9*5W LUOCL

LUAS LU(BRO3)3*9H2O LUCL3 LUCL3*6H2O LUI3 LU(IO3)3 LU(NO3)3*5H2O LUOCL

SOLIDS Component Databank: Mg

Alias

Name

MG MG(OH)2 MG17Y3 MG2AL4SI5O18 MG2CU-G MG2GE MG2NI MG2OCL2*16W MG2OCL2*6W MG2P2O7-A MG2PB MG2SN MG2TIO4 MG2ZN11 MG3AS2 MG3AS2O8 MG3BI2-B MG3CD MG3CE MG3LA MG3P2O8 MG3PR MG3SB2-A MG4C3O14H8 MG4O10H14CL2 MG4O13H20CL2 MG4O14H22CL2 MG4O18H22S MG4O6H6CL2 MG5Y2 MG6O18H26CL2

MAGNESIUM MAGNESIUM-HYDROXIDE MG17Y3 MG2AL4SI5O18-CORDIERITE MG2CU-GAMMA MG2GE MG2NI MGO*MGCL2*16H2O MGO*MGCL2*6H2O MG2P2O7-ALPHA 2-MAGNESIUM-LEAD MG2SN DIMAGNESIUM-TITANIUM-TETRAOXIDE MG2ZN11 MG3AS2 MG3(ASO4)2 MG3BI2-BETA MG3CD MG3CE MG3LA MG3(PO4)2 MG3PR MG3SB2-ALPHA (MGCO3)3*MG(OH)2*3H2O (MG(OH)2)3*MGCL2*4H2O (MG(OH)2)3*MGCL2*7H2O (MG(OH)2)3*MGCL2*8H2O (MG(OH)2)3*MGSO4*8H2O (MG(OH)2)3*MGCL2 MG5Y2 (MG(OH)2)5*MGCL2*8H2O

1-214 • Databanks

Physical Property Data 11.1

Physical Property Data 11.1

Alias

Name

MGAS4 MGB12 MGBR2*2NH3 MGBR2*6W MGBR2*NH3 MGC2O4 MGC2O4*2W MGC4H6O6 MGC4H6O6*2W MGCD MGCD3 MGCE MGCL2 MGCL2*2NH3 MGCL2*2W MGCL2*4W MGCL2*6C2OH6 MGCL2*6COH4 MGCL2*6W MGCL2*NH3 MGCL2*W MGCL2O8 MGCL2O8*2W MGCL2O8*4W MGCL2O8*6NH3 MGCL2O8*6W MGCN2 MGCO3 MGCO3*5W MGCR2O4 MGCRO4 MGCU2-B MGFE2O4 MGH2C2O4 MGI2*2NH3 MGLA MGN2O6*2W MGN2O6*6COH4 MGN2O6*6W MGNH4ASO4*6 W MGO MGO*AL2O3-S MGO*MGCL2 MGOHCL MGPR MGS2O3*3W

MGAS4 MGB12 MGBR2*2NH3 MGBR2*6H2O MGBR2*NH3 MGC2O4 MGC2O4*2H2O MG(CH2OHCO2)2 MG(CH2OHCO2)2*2H2O MGCD MGCD3 MGCE MAGNESIUM-CHLORIDE MGCL2*2NH3 MGCL2*2H2O MGCL2*4H2O MGCL2*6C2H5OH MGCL2*6CH3OH MGCL2*6H2O MGCL2*NH3 MGCL2*H2O MG(CLO4)2 MG(CLO4)2*2H2O MG(CLO4)2*4H2O MG(CLO4)2*6NH3 MG(CLO4)2*6H2O MGCN2 MAGNESIUM-CARBONATE MGCO3*5H2O MGCR2O4 MGCRO4 MGCU2-BETA MGFE2O4 MG(HCO2)2 MGI2*2NH3 MGLA MG(NO3)2*2H2O MG(NO3)2*6CH3OH MG(NO3)2*6H2O MGNH4ASO4*6H2O MAGNESIUM-OXIDE MGO*AL2O3-SPINEL MGO*MGCL2 MGOHCL MGPR MGS2O3*3H2O

Databanks • 1-215

SOLIDS Component Databank: Mn

1-216 • Databanks

Alias

Name

MGS2O3*6W MGSEO3 MGSEO3*6W MGSEO4 MGSEO4*4W MGSEO4*6W MGSEO4*W MGSO3 MGSO3*3W MGSO3*6W MGSO4*2W MGSO4*4W MGSO4*6W MGSO4*7W MGSO4*W MGTIO3 MGTL MGU3O10 MGUO4 MGV2O6 MGWO4 MGY MGZN MGZN2

MGS2O3*6H2O MAGNESIUM-SELENITE MGSEO3*6H2O MGSEO4 MGSEO4*4H2O MGSEO4*6H2O MGSEO4*H2O MGSO3 MGSO3*3H2O MGSO3*6H2O MGSO4*2H2O MGSO4*4H2O MGSO4*6H2O MGSO4*7H2O MGSO4*H2O MAGNESIUM-TITANIUM-TRIOXIDE MGTL MGU3O10 MGUO4 MGV2O6 MAGNESIUM-TUNGSTATE MGY MGZN MGZN2

Alias

Name

MN MANGANESE MN2C10O10 MN2(CO)10 MN2FEC6N6 MN2FE(CN)6 MN2O11PB4 PB(MNO4)2*3PBO MN2O3-B DIMANGANESE-TRIOXIDE-BRAUNITE MN3O4-H MANGANESE-OXIDE-HAUSMANNITE MN3P2O8 MN3(PO4)2 MN8N2 MN8N2 MNBI MNBI MNBR2 MANGANESE-DIBROMIDE MNBR2*2NH3 MNBR2*2NH3 MNBR2*4W MNBR2*4H2O MNBR2*6NH3 MNBR2*6NH3 MNBR2*C2H5OH MNBR2*C2H5OH MNBR2*NH3 MNBR2*NH3 MNBR2*W MNBR2*H2O MNC2H2O4 MN(CHO2)2 MNC2H2O4*2W MN(CHO2)2*2H2O MNC2O4 MANGANESE-OXALATE MNC2O4*2W MNC2O4*2H2O MNC2O4*3W MNC2O4*3H2O

Physical Property Data 11.1

Alias

Name

MNC4H6O4 MN(CH3CO2)2 MNC4H6O4*4W MN(CH3CO2)2*4H2O MNCL2 MANGANESE-DICHLORIDE MNCL2*2CH3OH MNCL2*2CH3OH MNCL2*2W MNCL2*2H2O MNCL2*3CH3OH MNCL2*3CH3OH MNCL2*4W MNCL2*4H2O MNCL2*CH3OH MNCL2*CH3OH MNCL2*W MNCL2*H2O MNCL4N2H12O2 MNCL2*2NH4CL*2H2O MNCO3 MANGANESE-CARBONATE MNCO3-N MNCO3-NATURAL MNCO3-P MNCO3-PRECIPITATED MNFE2O4 MNFE2O4 MNHASO4 MNHASO4 MNHPO4 MNHPO4 MNI2*2W MNI2*2H2O MNI2*4W MNI2*4H2O MNI2O6 MN(IO3)2 MNN2O6 MN(NO3)2 MNN6 MN(N3)2-MANGANESE-AZIDE MNO-M MANGENESE-OXIDE-MANGANOSITE MNO2-P MANGANESE-DIOXIDE-PYROLUSITE MNO2H2 MN(OH)2-PRECIPITATED MNS-P MNS-PRECIPITATED-PINK MNS2O14H20N2 (NH4)2MN(SO4)2*6H2O MNS2O6*2W MNS2O6*2H2O MNS2O6*6W MNS2O6*6H2O MNSO4*4W MNSO4*4H2O MNSO4*5W MNSO4*5H2O MNSO4*7W MNSO4*7H2O MNSO4*W-A MNSO4*H2O-ALPHA MNSO4*W-B MNSO4*H2O-BETA MNV2O6 MN(VO3)2

SOLIDS Component Databank: Mo

Physical Property Data 11.1

Alias

Name

MO MO2B MO3GE MOB MOBR2 MOBR4 MOCL2 MOCL3 MOCL4 MOCL5 MOO2BR2

MOLYBDENUM MO2B MO3GE MOB MOBR2 MOBR4 MOCL2 MOCL3 MOCL4 MOCL5 MOO2BR2

Databanks • 1-217

SOLIDS Component Databank: N

Alias

Name

MOO2CL2*W MOOCL4

MOO2CL2*H2O MOOCL4

Alias

Name

N2H6*B2H6 N2H6U3O9*4W N2H7PTCL3 N2H8CD2S3O12 N2H8CR2O7 N2H8CR3O10 N2H8CRO4 N2H8PTCL4 N3H12UO2F5 NH28ALS2O20 NH28CRS2O20 NH2COONA NH2COONH4 NH3*B3H7

(NH3)2*B2H6 (NH3)2(UO3)3*4H2O NH4(PT(NH3)CL3) (NH4)2CD2(SO4)3 (NH4)2CR2O7 (NH4)2CR3O10 (NH4)2CRO4 (NH4)2PTCL4 (NH4)3UO2F5 NH4AL(SO4)2*12H2O NH4CR(SO4)2*12H2O NH2COONA AMMONIUM-CARBAMATE AMMONIATRIBORANE,TETRAGONALBETA NH3*BF3 NH3(UO3)2*3H2O NH3(UO3)3*5H2O AMMONIUM-ALUMINUM-SULFATE NH4B5O8*4H2O NH4BO3*0.5H2O AMMONIUM-BROMIDE NH4BR*1.5NH3 NH4BR3 AMMONIUM-CHLORIDE AMMONIUM-CYANIDE NH4CNS*SO2 AMMONIUM-FLUORIDE AMMONIUM-DIHYDROGEN-ARSENATE NH4H2PO2 AMMONIUM-DIHYDROGEN-PHOSPHATE AMMONIUM-HYDROGEN-CARBONATE AMMONIUM-HYDROGEN-FLUORIDE AMMONIUM-HYDROGEN-SULFIDE AMMONIUM-HYDROGEN-SELENIDE AMMONIUM-HYDROGEN-SULFITE AMMONIUM-BISULFATE AMMONIUM-HYDROGEN-TELLURIDE NH4I*2NH3 NH4I*3SO2 NH4I*NH3 NH4I3 NH4IBR2

NH3*BF3 NH3U2O6*3W NH3U3O9*5W NH4ALS2O8 NH4B5O8*4W NH4BO3*0.5W NH4BR NH4BR*1.5NH3 NH4BR3 NH4CL NH4CN NH4CNS*SO2 NH4F NH4H2ASO4 NH4H2PO2 NH4H2PO4 NH4HCO3 NH4HF2 NH4HS NH4HSE NH4HSO3 NH4HSO4 NH4HTE NH4I*2NH3 NH4I*3SO2 NH4I*NH3 NH4I3 NH4IBR2

1-218 • Databanks

Physical Property Data 11.1

SOLIDS Component Databank: Na

Physical Property Data 11.1

Alias

Name

NH4IBRCL NH4ICL2 NH4ICL4 NH4IO3 NH4N3 NH4NO2 NH4NO3 NH4OCN NH4PF6 NH4REO4 NH4SCN NH4TACL6 NH4U2O4F5 NH4U2O4F5*3W NH4U2O4F5*4W NH4VO3 (NH4)2HASO4 (NH4)2HPO4 (NH4)2S2O8 (NH4)2S4 (NH4)2S5 (NH4)2S8 (NH4)2SEO4 (NH4)2SIF6-C (NH4)2SIF6-H (NH4)2SNBR6 (NH4)2SNCL6 (NH4)2SO3 (NH4)2SO3*W (NH4)2SO4 (NH4)2SO4*3N (NH4)3ASO4 (NH4)3ASO4*3 (NH4)3PO4 (NH4)3PO4*3W 2NH4NASO4*W NHG2BR NOVF6

NH4IBRCL NH4ICL2 NH4ICL4 AMMONIUM-IODATE AMMONIUM-AZIDE AMMONIUM-NITRITE AMMONIUM-NITRATE AMMONIUM-CYANATE NH4PF6 NH4REO4 AMMONIUM-THIOCYANATE NH4TACL6 NH4(UO2)2F5 NH4(UO2)2F5*3H2O NH4(UO2)2F5*4H2O NH4VO3 DIAMMONIUM-HYDROGEN-ARSENATE DIAMMONIUM-PHOSPHATE (NH4)2S2O8 (NH4)2S4 (NH4)2S5 (NH4)2S8 AMMONIUM-SELENATE (NH4)2SIF6-CUBIC (NH4)2SIF6-HEXAGONAL (NH4)2SNBR6 (NH4)2SNCL6 AMMONIUM-SULFITE AMMONIUM-SULFITE-HYDRATE AMMONIUM-SULFATE (NH4)2SO4*3NH3 AMMONIUM-ARSENATE AMMONIUM-ARSENATE-TRIHYDRATE AMMONIUM-PHOSPHATE AMMONIUM-PHOSPHATE-TRIHYDRATE NA2SO4*(NH4)2SO4*H2O NHG2BR NOVF6

Alias

Name

NA NA(UO2)2F5 NA2AG2O3 NA2B4O7*10W NA2B4O7*4W NA2B4O7*5W NA2BA(CO3)2

SODIUM NA(UO2)2F5 NA2AG2O3 NA2B4O7*10H2O NA2B4O7*4H2O NA2B4O7*5H2O NA2CO3*BACO3

Databanks • 1-219

Alias

Name

NA2BA(SO4)2 NA2SO4*BASO4 NA2BECL4 NA2BECL4 NA2C2 SODIUM-CARBIDE NA2C2H2O3 DISODIUM-HYDROXYACERATE NA2C2H2O3*2W NAOCH2CO2NA*2H2O NA2C2O4 NA2C2O4 NA2CA(SO4)2 NA2CA(SO4)2 NA2CACL4 NA2CACL4 NA2CO3 SODIUM-CARBONATE NA2CO3.10H2O SODIUM-CARBONATE-DECAHYDRATE NA2CO3.3NAHC WEGSCHEIDER NA2CO3.7H2O SODIUM-CARBONATE-HEPTAHYDRATE NA2CO3.H2O SODIUM-CARBONATE-MONOHYDRATE NA2CO3.NAHCO TRONA NA2COO3 NA2COO3 NA2CR2O7 SODIUM-DICHROMATE NA2CR2O7*2W NA2CR2O7*2H2O NA2CRO4*10W NA2CRO4*10H2O NA2CRO4*4NAO NA2CRO4*4NAOH NA2CRO4*4W NA2CRO4*4H2O NA2CUC2O6 NA2CU(CO3)2 NA2CUC2O6*3W NA2CU(CO3)2*3H2O NA2CUO3 NA2CUO3 NA2H2P2O5 NA2H2P2O5 NA2H2P2O7 NA2H2P2O7 NA2H2P2O7*6W NA2H2P2O7*6H2O NA2HFCL6 NA2HFCL6 NA2HPO4 DISODIUM-PHOSPHATE NA2HPO4*12W NA2HPO4*12H2O NA2HPO4*2W NA2HPO4*2H2O NA2HPO4*7W NA2HPO4*7H2O NA2HSEO3 NAHSEO3 NA2HSEO4 NAHSEO4 NA2IRCL6 NA2IRCL6 NA2K2(CO3)2 NA2CO3*K2CO3-AGED NA2K2(SO4)2 NA2SO4*K2SO4-AGED NA2K4(CO3)3 NA2CO3*2K2CO3-AGED NA2K4(SO4)3 NA2SO4*2K2SO4-AGED NA2K6(CO3)4 NA2CO3*3K2CO3-AGED NA2K6(SO4)4 NA2SO4*3K2SO4-GLASERITE NA2K8(CO3)5 NA2CO3*4K2CO3-AGED NA2MG(SO4)2 NA2MG(SO4)2 NA2MGS2O8*2W NA2MG(SO4)2*2H2O NA2MN(SO4)2 NA2MN(SO4)2 NA2MNO4 NA2MNO4 NA2MNS2O8*2W NA2MN(SO4)2*2H2O NA2MO2O7 NA2MO2O7

1-220 • Databanks

Physical Property Data 11.1

Physical Property Data 11.1

Alias

Name

NA2MOCL6 NA2MOF8 NA2MOO4*2W NA2MOO6*W NA2MOO8*2W NA2MOO8*4W NA2N2O3 NA2NBF7 NA2O NA2O*3B2O3 NA2O*4B2O3 3NA2O*NB2O5 NA2OSCL6 NA2PBI4*4W NA2PBI4*6W NA2PBO3 NA2PTCL6 NA2PTCL6*2W NA2PTCL6*6W NA2S*4.5W NA2S*5W NA2S*9W NA2S2O3 NA2S2O3*5W NA2S2O4 NA2S2O5 NA2S2O6 NA2S2O6*2W NA2S2O7 NA2S3O6*3W NA2S4O6*2W NA2S5 NA2SE NA2SE*16W NA2SE*4.5W NA2SE*9W NA2SE2 NA2SEO3 NA2SEO3*5W NA2SEO4 NA2SEO4*10W NA2SIF6 NA2SIO3*5W NA2SIO3*9W NA2SNO3 NA2SO3*7W NA2SO4

NA2MOCL6 NA2MOF8 NA2MOO4*2H2O NA2MOO6*H2O NA2MOO8*2H2O NA2MOO8*4H2O NA2N2O3 NA2NBF7 SODIUM-OXIDE NA2O*3B2O3 NA2O*4B2O3 3NA2O*NB2O5 NA2OSCL6 (NAI)2PBI2*4H2O (NAI)2PBI2*6H2O NA2PBO3 NA2PTCL6 NA2PTCL6*2H2O NA2PTCL6*6H2O NA2S*4.5H2O NA2S*5H2O NA2S*9H2O SODIUM-THIOSULFATE NA2S2O3*5H2O SODIUM-HYDROSULFITE NA2S2O5 NA2S2O6 NA2S2O6*2H20 NA2S2O7 NA2S3O6*3H2O NA2S4O6*2H2O NA2S5 NA2SE NA2SE*16H2O NA2SE*4.5H2O NA2SE*9H2O NA2SE2 NA2SEO3 NA2SEO3*5H2O NA2SEO4 NA2SEO4*10H2O NA2SIF6 NA2SIO3*5H2O NA2SIO3*9H2O NA2SNO3 NA2SO3*7H2O SODIUM-SULFATE

Databanks • 1-221

1-222 • Databanks

Alias

Name

NA2SO4*SRSO4 NA2SO4.10H2O NA2SO4.NAOH NA2TAF7 NA2TE2 NA2TEO3 NA2TEO3*5W NA2THCL6 NA2U2O7 NA2U2O7*1.5W NA2UCL6 NA2UO4-A NA2UO4-B NA2V3F11 NA2W2O7 NA2W4O13 NA2WF8 NA2WO4*2W NA2WO6*W NA2WO8*2W NA2ZN(SO4)2 NA2ZNO2 NA2ZNS2O8*2W NA2ZNS2O8*4W NA2ZRCL6 NA3ALF6 NA3ALF6*3.5W NA3ASO4*12W NA3BI NA3BIO4 NA3CON6O12 NA3CRCL6 NA3FECO(CN)5 NA3HG NA3HG2 NA3HP2O7 NA3HP2O7*6W NA3HP2O7*W NA3IRCL6 NA3P NA3PW3O13*4W NA3RHCL6 NA3RHCL6*12W NA3SB NA3SCF6 NA3TICL6 NA3UO2F5

NA2SO4*SRSO4 GLAUBER DOUBLE NA2TAF7 NA2TE2 NA2TEO3 NA2TEO3*5H2O NA2THCL6 NA2U2O7 NA2U2O7*1.5H2O NA2UCL6 NA2UO4-ALHPA NA2UO4-BETA NA2V3F11 NA2W2O7 NA2W4O13 NA2WF8 NA2WO4*2H2O NA2WO6*H2O NA2WO8*2H2O NA2ZN(SO4)2 NA2ZNO2 NA2ZN(SO4)2*2H2O NA2ZN(SO4)2*4H2O NA2ZRCL6 CRYOLITE NA3ALF6*3.5H2O NA3ASO4*12H2O NA3BI NA3BIO4 NA3(CO(NO2)6) NA3CRCL6 NA3FECO(CN)5 NA3HG NA3HG2 NA3HP2O7 NA3HP2O7*6H2O NA3HP2O7*H2O NA3IRCL6 NA3P NA3PW3O13*4H2O NA3RHCL6 NA3RHCL6*12H2O NA3SB NA3SCF6 NA3TICL6 NA3UO2F5

Physical Property Data 11.1

Physical Property Data 11.1

Alias

Name

NA3UO4 NA3VCL6 NA3VF6 NA3VO4*.5W-O NA3VO4*.5W-P NA3VO4*10W-O NA3VO4*10W-P NA3VO4*12W NA3VO4*2W NA3VO4*3.5W NA3VO4*7W NA3VO4*8W NA4BA(SO4)3 NA4CA(SO4)3 NA4CEO4 NA4K2(CO3)3 NA4K2(SO4)3 NA4O4UO4 NA4O4UO4*9W NA4P2O7 NA4P2O7*10W NA4P4O12 NA4SN NA4SO4CLOH NA4SR(SO4)3 NA4UO2(CO3)3 NA4UO5 NA4V2O7*10W NA4V2O7*12W NA4V2O7*18W NA4V2O7*2W NA5H3(CO3)4 NA5HG2 NA5P3O10*6W NA5P3O10-1 NA5P3O10-2 NA5PB2 NA5V3F14 NA6K2(CO3)4 NA6U7O24 NA6ZR2SI4O15 NA7HG8 NA8K2(CO3)5 NAALH4 NAALS2O8*12W NAALS2O8*2W NAALS2O8*5W

NA3UO4 NA3VCL6 NA3VF6 NA3VO4*0.5H2O-ORTHO NA3VO4*0.5H2O-PSEUDOSALT NA3VO4*10H2O-ORTHO NA3VO4*10H2O-PSEUDOSALT NA3VO4*12H2O-ORTHO NA3VO4*2H2O-ORTHO NA3VO4*3.5H2O-PSEUDOSALT NA3VO4*7H2O-ORTHO NA3VO4*8H2O-PSEUDOSALT 2NA2SO4*BASO4 NA4CA(SO4)3 NA4CEO4 2NA2CO3*K2CO3-AGED 2NA2SO4*K2SO4-AGED NA4O4UO4 NA4O4UO4*9H2O TETRASODIUM-PYROPHOSPHATE NA4P2O7*10H2O NA4P4O12 NA4SN TRIPLE 2NA2SO4*SRSO4 NA4UO2(CO3)3 NA4UO5 NA4V2O7*10H2O NA4V2O7*12H2O NA4V2O7*18H2O NA4V2O7*2H2O 3NAHCO3*NA2CO3 NA5HG2 NA5P3O10*6H2O NA5P3O10-FORM-1-QUENCHED NA5P3O10-FORM-2 NA5PB2 NA5V3F14 3NA2CO3*K2CO3-AGED NA6U7O24 NA6ZR2SI4O15 NA7HG8 4NA2CO3*K2CO3-AGED NAALH4 NAAL(SO4)2*12H2O NAAL(SO4)2*2H2O NAAL(SO4)2*5H2O

Databanks • 1-223

1-224 • Databanks

Alias

Name

NAALS2O8*6W NAAS NAAS2 NAASO2 NAB(OCH3)4 NAB5O8*5W NABF4 NABH4 NABH4*2W NABH4*3NH3 NABH4*4.5NH3 NABO2*2W NABO2*4W NABO3*4W NABR*2W NABR*5.25NH3 NABR*5.75NH3 NABRF4 NABRO3 NAC2H5O2 NAC3H9O3 NAC4H11O3 NAC4H11O4 NAC4H7O6 NAC6H17O3 NACH3CO2 NACH3CO2*3W NACL NACL*5NH3 NACLO2 NACLO2*3W NACLO3 NACLO4*W 2NACL*BACL2 2NACL*MGCL2 2NACL*SRCL2 NACN*0.5W NACN*2W NACN-c NACN-o NACNO NACNS NACNS*2SO2 NACOO8N4C2H6 NACRO2 NACS2CRCL6 NAF

NAAL(SO4)2*6H2O NAAS NAAS2 NAASO2 NAB(OCH3)4 NAB5O8*5H2O NABF4 NABH4 NABH4*2H2O NABH4*3NH3 NABH4*4.5NH3 NABO2*2H2O NABO2*4H2O NABO3*4H2O NABR*2H2O NABR*5.25NH3 NABR*5.75NH3 NABRF4 NABRO3 SODIUM-ETHLYLENE-GLYCOLATE NAC2H5O2*CH3OH NAC2H5O2*C2H5OH NAC2H5O2*(CH2OH)2 CH2OHCOONA*CH2OHCOOH NAOC2H5*2C2H5OH NACH3CO2 NACH3CO2*3H2O SODIUM-CHLORIDE NACL*5NH3 NACLO2 NACLO2*3H2O SODIUM-CHLORATE NACLO4*H2O 2NACL*BACL2 2NACL*MGCL2 2NACL*SRCL2 NACN*0.5H2O NACN*2H2O NACN-CUBIC NACN-ORTHORHOMBIC NACNO NACNS NACNS*2SO2 NA(CO(NH3)2(NO2)2C2O4) NACRO2 NACS2CRCL6 SODIUM-FLUORIDE

Physical Property Data 11.1

Physical Property Data 11.1

Alias

Name

NAFECL4 NAFEF3 NAFEO2 NAH2F3 NAH2PO2 NAH2PO3 NAH2PO3*2.5W NAH2PO4 NAH2PO4*2W NAH2PO4*W NAH3(SEO3)2 NAH3P2O7 NAHC2 NAHC2O4 NAHC2O4*W NAHCO3 NAHF2 NAHG NAHG2 NAHG4 NAHGC2N2I*2W NAHPO3 NAHPO3*5W NAHS NAHS*2W NAHSE NAHSO4 NAHSO4*W 2NAHSO3CHO* W NAI*2W NAI*3CH3OH NAI*4SO2 NAI3 3NAI*8SO2 NAIBR2 NAICL2 NAICL4 NAIO2F2 NAIO3 NAIO3*5W NAIO3*W NAIO4 NAIO4*3W NAK(CNS)2 NAK3(CNS)4 NALIB4O7

NAFECL4 NAFEF3 NAFEO2 NAH2F3 NAH2PO2 NAH2PO3 NAH2PO3*2.5H2O MONOSODIUM-PHOSPHATE NAH2PO4*2H2O NAH2PO4*H2O NAH3(SEO3)2 NAH3P2O7 SODIUM-ACETYLIDE NAHC2O4 NAHC2O4*H2O SODIUM-BICARBONATE NAHF2 NAHG NAHG2 NAHG4 NAHG(CN)2I*2H2O NA2HPO3 NA2HPO3*5H2O NAHS NAHS*2H2O NAHSE SODIUM-BISULFATE NAHSO4*H2O (CHO)2*2NAHSO3*H2O NAI*2H2O NAI*3CH3OH NAI*4SO2 NAI3 3NAI*8SO2 NAIBR2 NAICL2 NAICL4 NAIO2F2 NAIO3 NAIO3*5H2O NAIO3*H2O NAIO4 NAIO4*3H2O NACNS*KCNS NACNS*3KCNS 0.5NA2O*0.5LI2O*2B2O3

Databanks • 1-225

Alias

Name

NALIB6O10 0.5NA2O*0.5LI2O*3B2O3 NALIB8O13 0.5NA2O*0.5LI2O*4B2O3 NALIICL NALIICL NAMGF3 NAMGF3 NAMNCL3 NAMNCL3 NAMNO4*3W NAMNO4*3H2O NAMNO4*W NAMNO4*H2O NAMOF7 NAMOF7 NAN3 NAN3 NANBCL6 NANBCL6 NANBO3 NANBO3 NANBO3*3.5W NANBO3*3.5H2O NANBOCL4 NANBOCL4 NANH2 SODIUM-AMIDE NANH3 NANH3 NANH4HPO4*4W NANH4HPO4*4H2O NANO2*NAOH NANO2*NAOH NANO3 SODIUM-NITRATE NANO3*2NAOH NANO3*2NAOH NANO3*NAOH NANO3*NAOH NAOC2H5 NAOC2H5 NAOCH3 NAOCH3 NAOH SODIUM-HYDROXIDE NAOH*BF3 NAOH*BF3 NAOH*W NAOH*H2O (NAPO3)3 (NAPO3)3 NAPB NAPB NAPTBR6 NA2PTBR6 NAPTBR6*6W NA2PTBR6*6H2O NARB2CRCL6 NARB2CRCL6 NAREO4 NAREO4 NASB NASB NASN NASN NASO3F NASO3F NATACL6 NATACL6 NATEO4 NA2TEO4 NATHCL5*10W NATHCL5*10H2O NATICL3 NATICL3 NATL NATL NAUCL6-A NAUCL6-ALPHA NAUCL6-B NAUCL6-BETA NAUF6 NAUF6 NAUO3 NAUO3 NAWF6 NAWF6 NAWF7 NAWF7 NAZRF5 NAZRF5 NAZRSI2O7 NA2ZRSI2O7

1-226 • Databanks

Physical Property Data 11.1

Alias

Name

NAZRSIO5

NA2ZRSIO5

SOLIDS Component Databank: Nb

Alias

Name

NB1.136S2 NBB1.875 NBB1.963 NBCO2 NBCO3 NBCR2 NBGE0.15 NBGE0.54 NBGE0.67 NBGE2 NBOBR3

NB1.136S2 NBB1.875 NBB1.963 NBCO2 NBCO3 NBCR2 NBGE0.15 NBGE0.54 NBGE0.67 NBGE2 NBOBR3

SOLIDS Component Databank: Nd

Alias

Name

ND2C3O9 ND2C6O12*10W ND2S3O12*8W ND2SE3O12*5W NDAL2 NDBR3O9*9W NDCL2 NDCL3*6W NDF3*W NDI3O9 NDN3O9 NDN3O9*3W NDN3O9*4W NDN3O9*6W

ND2(CO3)3 ND2(C2O4)3*10H2O ND2(SO4)3*8H2O ND2(SEO4)3*5H2O NDAL2 ND(BRO3)3*9H2O NDCL2 NDCL3*6H2O NDF3*H2O ND(IO3)3 ND(NO3)3 ND(NO3)3*3H2O ND(NO3)3*4H2O ND(NO3)3*6H2O

SOLIDS Component Databank: Ni

Alias

Name

NI NI2I6PB NI2I6PB*3W NI2P2O7 NI2SI NI2TE3 NI3N NI4SO10H6 NI4W NI6S5 NI7S3O20H8 NI7S6 NIAL NIB2O4 NIBR2*3W NIBR2*6CH3OH

NICKEL (NII2)2*PBI2 (NII2)2*PBI2*3H2O NI2P2O7 NI2SI NI2TE3 NI3N NISO4*3NI(OH)2 NI4W NI6S5 (NISO4)3*4NI(OH)2 NI7S6 NIAL NI(BO2)2 NIBR2*3H2O NIBR2*6CH3OH

Physical Property Data 11.1

Databanks • 1-227

1-228 • Databanks

Alias

Name

NIBR2N2H6 NIBR2NH3 NIC2N2 NIC2N2O2 NIC2N2S2 NIC2O4 NIC4H6O4N4 NICL2 NICL2*2W NICL2*4W NICL2*6W NICL2N2H6 NICL2NH3 NICL2O8*6W NIF2*4W NIFE2O4 NIH2C2O4 NII2N2H6 NII2O6 NIN2H8C4O4 NIN2O6 NIN2O6*3W NIN2O6*6W NIN6*W NIN6H12SO4 NIN6H18BR2 NIN6H18CL2 NIN6H18I2 NIN6H24C6CL2 NIN8H18O6 NIO-B NIO2H2 NIO8H8B2 NIS-P NIS2O6*6W NISE NISEO3*2W NISEO3*2W-P NISO4*4W NISO4*6W NISO4*7W NITE NITE2

NIBR2*2NH3 NIBR2*NH3 NI(CN)2-PRECIPITATED NI(CNO)2 NI(CNS)2 NICKEL-OXALATE NI(C2H3O2N2)2 NICKEL-CHLORIDE NICL2*2H2O NICL2*4H2O NICL2*6H2O NICL2*2NH3 NICL2*NH3 NI(CLO4)2*6H2O NIF2*4H2O NIFE2O4 NI(HCO2)2 NII2*2NH3 NI(IO3)2 NI(NH2CH2COO)2 NI(NO3)2 NI(NO3)2*3H2O NI(NO3)2*6H2O NI(N3)2*H2O NI(N2H4)3SO4 NI(NH3)6BR2 NI(NH3)6CL2 NI(NH3)6I2 NI(N2H8C2)3CL2 NI(NH3)6(NO3)2 NICKEL-OXIDE-BUNSENITE NI(OH)2 NI(OH)2*2H3BO3 NIS-PRECIPITATED NIS2O6*6H2O NISE NISEO3*2H2O NISEO3*2H2O-PRECIPITATED NISO4*4H2O NISO4*6H2O-ALPHA,GREEN NISO4*7H2O NITE NITE2

Physical Property Data 11.1

SOLIDS Component Databank: P

Alias

Name

P-W P2H6*B2H6 P2O5 P2S3 P3N5 P4O10 PH3*BCL3 PH4BR PH4CL PH4I POCL3*BCL3

PHOSPHORUS-WHITE (PH3)2*B2H6 DIPHOSPHORUS-PENTAOXIDE P2S3 P3N5 TETRAPHOSPHORUS-DECAOXIDE PH3*BCL3 PH4BR PH4CL PH4I POCL3*BCL3

SOLIDS Component Databank: Pa

Alias

Name

PABR4 PABR5 PACL4 PACL5 PAI4 PAOBR2

PABR4 PABR5 PACL4 PACL5 PAI4 PAOBR2

SOLIDS Component Databank: Pb

Alias

Name

PB PB(N3)2-M PB(N3)2-O PB(NO3)2 PB(OH)2 PB(OH)2-P PB2CL4*NH4CL PB2N6O PB2O2*PBCL2 PB2SIO4 PB2V2O7 PB3AM4I10*6W PB3ASI9*12W PB3C2N2O3H2 PB3I6*4NH4I PB3I6*ASI3 PB3I6*PI3 PB3I6*SBI3 PB3I9P*12W PB3O2BR2 PB3O3*PBCL2 PB3P2O8 PB3SBI9*12W PB3V2O8 PB4O3BR2 PB4O6H6CL2

LEAD PB(N3)2-MONOCLINIC PB(N3)2-ORTHORHOMBIC PB(NO3)2 PB(OH)2 PB(OH)2-PPTD (PBCL2)2*NH4CL PB(N3)2*PBO (PBO)2*PBCL2 DILEAD-ORTHOSILICATE PB2V2O7 (PBI2)3*4NH4I*6H2O (PBI2)3*ASI3*12H2O PB(CN)2*2PBO*H2O (PBI2)3*4NH4I (PBI2)3*ASI3 (PBI2)3*PI3 (PBI2)3*SBI3 (PBI2)3*PI3*12H2O (PBO)2*PBBR2 (PBO)3*PBCL2 PB3(PO4)2 (PBI2)3*SBI3*12H2O PB3(VO4)2 (PBO)3*PBBR2 (PB(OH)2)3*PBCL2

Physical Property Data 11.1

Databanks • 1-229

1-230 • Databanks

Alias

Name

PBBR2*2NH3 PBBR2*3NH3 PBBR2*5.5NH3 PBBR2*8NH3 PBBR2*NH3 PBBR2O6 PBBRF PBC2H2O4 PBC2O4 PBC4H6O4 PBC4H6O4*3W PBCL2 PBCL2*1.5NH3 PBCL2*2NH3 PBCL2*3.25NH PBCL2*8NH3 PBCL2*NH3 PBCL2*PBCO3 PBCLOH PBFCL PBH2PO4 PBHPO3 PBI2*0.5NH3 PBI2*2MGI2 PBI2*2NH3 PBI2*2RBI PBI2*2RBI*4W PBI2*2ZNI2 PBI2*5NH3 PBI2*8NH3 PBI2*HI*5W PBI2*NH3 PBI2*SNI2 PBI2*SNI2*8W PBI2O6 PBI8CR2 PBI8CR2H6O3 PBN2O6*3NH3 PBN2O6*6NH3 PBN2O6*NH3 PBNA4S6O9 PBO*PBBR2 PBO*PBCL2 PBO*PBCO3 PBR5 PBRE2O8*2W PBS

PBBR2*2NH3 PBBR2*3NH3 PBBR2*5.5NH3 PBBR2*8NH3 PBBR2*NH3 PB(BRO3)2 PBBRF PB(HCO2)2 PBC2O4 PB(CH3CO2)2 PB(CH3CO2)2*3H2O LEAD-DICHLORIDE PBCL2*1.5NH3 PBCL2*2NH3 PBCL2*3.25NH3 PBCL2*8NH3 PBCL2*NH3 PBCL2*PBCO3 PBCLOH PBFCL RBH2PO4 PBHPO3 PBI2*0.5NH3 PBI2*2MGI2 PBI2*2NH3 PBI2*2RBI PBI2*2RBI*4H2O PBI2*2ZNI2 PBI2*5NH3 PBI2*8NH3 PBI2*HI*5H2O PBI2*NH3 PBI2*SNI2 PBI2*SNI2*8H2O PB(IO3)2 PBI2*2CRI3 PBI2*2CRI3*3H2O PB(NO3)2*3NH3 PB(NO3)2*6NH3 PB(NO3)2*NH3 PBS2O3*2NA2S2O3 PBO*PBBR2 PBO*PBCL2 DILEAD-OXIDE-CARBONATE PHOSPHORUS-PENTABROMIDE PB(REO4)2*2H2O LEAD-SULFIDE

Physical Property Data 11.1

Alias

Name

PBS2C2N2 PBS2O3 PBS2O6*4W PBS3O6 PBSO3 PBSO4 PBSO4*2NH3 PBSO4*2PBO PBSO4*3PBO PBSO4*4NH3 PBSO4*PBO PBTEO4

PB(SCN)2 PBS2O3 PBS2O6*4H2O PBS3O6 PBSO3 LEAD-SULFATE PBSO4*2NH3 PBSO4*2PBO PBSO4*3PBO PBSO4*4NH3 PBSO4*PBO PBTEO4

SOLIDS Component Databank: Pd

Alias

Name

PD2H PD3SB PDBR2 PDC2N2 PDC2N2S2 PDCL2*2NH3 PDCL2*4NH3 PDI2*2NH3 PDI2*4NH3 PDO2H2 PDO4H4 PDSB PDSB2 PDTE2

PD2H PD3SB PDBR2 PD(CN)2 PD(CNS)2 PDCL2*2NH3 PDCL2*4NH3 PDI2*2NH3 PDI2*4NH3 PD(OH)2-PRECIPITATED PD(OH)4-PRECIPITATED PDSB PDSB2 PDTE2

SOLIDS Component Databank: Pr

Alias

Name

PR2C3O9 PR2C6O12*10W PR2SE3O12*5W PR2SE4O12H2 PR2SE4O17H12 PRAL2 PRAL4 PRAS PRBI PRBR3O9*9W PRC PRCL3*6W PRCL3*7W PRF3*W PRI3O9 PRN3O9 PRN3O9*6W

PR2(CO3)3 PR2(C2O4)3*10H2O PR2(SEO4)3*5H2O PR2(SEO3)3*H2SEO3 PR2(SEO3)3*H2SEO3*5H2O PRAL2 PRAL4 PRAS PRBI PR(BRO3)3*9H2O PRC PRCL3*6H2O PRCL3*7H2O PRF3*H2O PR(IO3)3 PR(NO3)3 PR(NO3)3*6H2O

Physical Property Data 11.1

Databanks • 1-231

Alias

Name

PRO3H3 PROCL PRSB

PR(OH)3 PROCL PRSB

SOLIDS Component Databank: Pt

Alias

Name

PT PT3N6H18CL6 PTBR PTCL PTCL2*5NH3 PTCL4*5W PTF6 PTN2H6CL2-C PTN2H6CL2-T PTN3H9CL2 PTN3H9CL2O4 PTN4H12CL2 PTN4H12CL2*W PTN4H12I2 PTN6H12O6 PTO2H2 PTTE PTTE2

PLATINUM (PT(NH3)4)(PT(NH3)CL3)2 PTBR PTCL PTCL2*5NH3 PTCL4*5H2O PTF6 PT(NH3)2CL2-CIS PT(NH3)2CL2-TRANS (PT(NH3)3CL)CL (PT(NH3)3CL)CLO4 (PT(NH3)4)CL2 (PT(NH3)4)CL2*H2O (PT(NH3)4)I2 PT(NH3)4(NO3)2 PT(OH)2 PTTE PTTE2

SOLIDS Component Databank: Ra

Alias

Name

RA RA(IO3)2 RA(NO3)2 RACL2 RACL2*2W RASO4

RA RA(IO3)2 RA(NO3)2 RACL2 RACL2*2H2O RASO4

SOLIDS Component Databank: Rb

Alias

Name

RB RB(UO2)2F5 RB2BA(NO2)4 RB2CO3 RB2CO3*1.5W RB2CO3*3W RB2CO3*W RB2COCL4 RB2CRO4 RB2FECL4 RB2GECL6 RB2H2P2O7 RB2IRCL6 RB2NBOCL5 RB2PTCL4

RUBIDIUM RB(UO2)2F5 2RBNO2*BA(NO2)2 RUBIDIUM-CARBONATE RB2CO3*1.5H2O RB2CO3*3H2O RB2CO3*H2O RB2COCL4 RB2CRO4 RB2FECL4 RB2GECL6 RB2H2P2O7 RB2IRCL6 RB2NBOCL5 RB2PTCL4

1-232 • Databanks

Physical Property Data 11.1

Physical Property Data 11.1

Alias

Name

RB2PTCL6 RB2S RB2SEO3 RB2SEO4 RB2SIF6 RB2SNBR6 RB2SNCL6 RB2TEBR6 RB2TEO3 RB2TEO3*3W RB2TEO3*W RB2THCL6 RB2THCL6*9W RB2TIBR6 RB2TICL4 RB2TICL6 RB2UBR6 RB2UCL6 RB2ZNBR4 RB2ZNCL4 RB3AGI3 RB3COCL5 RB3CR2CL9 RB3CRCL6 RB3CRO4F RB3SB RB3SB7 RB3TI2BR9 RB3TIBR6 RB3UO2F5 RB3V2CL9 RB3VCL6 RB4THCL8 RB4UCL8 RB5(UO2)2F9 RB5SB4 RBAG4I5 RBB(CLO4)4 RBBA2(NO2)5 RBBCL4 RBBF4 RBBO2 RBBR2CL RBBR3 7RBBR*3SBBR3 RBBRCL2 RBBRO3

RB2PTCL6 RB2S RB2SEO3 RB2SEO4 RB2SIF6 RB2SNBR6 RB2SNCL6 RB2TEBR6 RB2TEO3 RB2TEO3*3H2O RB2TEO3*H2O RB2THCL6 RB2THCL6*9H2O RB2TIBR6 RB2TICL4 RB2TICL6 RB2UBR6 RB2UCL6 RB2ZNBR4 RB2ZNCL4 RB2AGI3 RB3COCL5 RB3CR2CL9 RB3CRCL6 RB3CRO4F RB3SB RB3SB7 RB3TI2BR9 RB3TIBR6 RB3UO2F5 RB3V2CL9 RB3VCL6 RB4THCL8 RB4UCL8 RB5(UO2)2F9 RB5SB4 RBAG4I5 RBB(CLO4)4 RBNO2*2BA(NO2)2 RBBCL4 RBBF4 RBBO2 RBBR2CL RBBR3 7RBBR*3SBBR3 RBBRCL2 RBBRO3

Databanks • 1-233

1-234 • Databanks

Alias

Name

RBC10 RBC24 RBC36 RBC48 RBC4H11O2 RBC60 RBC72 RBC8 RBCACL3 RBCEFEC6N6W2 RBCL*ZNSO4 RBCLO3 RBCLO4 RBCN RBCOCL3 RBF*1.5W RBFECL3 RBGDFEC6N6 RBH RBHCO3 RBHF2 RBHS RBHSE RBHSO4 RBI*3SO2 RBI3 RBIBR2 RBIBRCL RBICL2 RBICL4 RBIO3 RBKCL2 RBMNCL3 RBMOF6 RBN3 RBNBCL6 RBNBO3 RBNH2 RBNICL3 RBNO2 RBNO3 RBOH RBOH*2W RBOH*W RBPF6 RBPO3 RBPTNH3CL3

RBC10 RBC24 RBC36 RBC48 C2H5ORB*C2H5OH RBC60 RBC72 RBC8 RBCACL3 RBCE(FE(CN)6)*2H2O RBCL*ZNSO4 RBCLO3 RBCLO4 RBCN RBCOCL3 RBF*1.5H2O RBFECL3 RBGD(FE(CN)6) RBH RBHCO3 RBHF2 RBHS RBHSE RBHSO4 RBI*3SO2 RBI3 RBIBR2 RBIBRCL RBICL2 RBICL4 RBIO3 RBKCL2 RBMNCL3 RBMOF6 RBN3 RBNBCL6 RBNBO3 RBNH2 RBNICL3 RBNO2 RBNO3 RBOH RBOH*2H2O RBOH*H2O RBPF6 RBPO3 RBPTNH3CL3

Physical Property Data 11.1

Alias

Name

RBREO4 RBSB RBSB2 RBSO2F RBTACL6 RBTICL3 RBUCL5 RBUCL6 RBUF6 RBWF6

RBREO4 RBSB RBSB2 RBSO2F RBTACL6 RBTICL3 RBUCL5 RBUCL6 RBUF6 RBWF6

SOLIDS Component Databank: Sb

Alias

Name

SB(OH)3 SB4O5CL2 SBCL3*3RBCL SBF3*2NH3 SBF3*3NH3 SBF3*4NH3 SBF3*6NH3 SBF3*NH3 SBOCL

ANTIMONY-TRIHYDROXIDE SB4O5CL2 SBCL3*3RBCL SBF3*2NH3 SBF3*3NH3 SBF3*4NH3 SBF3*6NH3 SBF3*NH3 ANTIMONY-CHLORIDE-OXIDE

SOLIDS Component Databank: Sc

Alias

Name

SC2C6O12 SC2O5H5CL SC2S3O12 SC2SE3O9*10W SCAS SCCL3*6W SCH1.97 SCH2 SCH3C3O6 SCO2H2CL SCO3H3

SC2(C2O4)3 SC2(OH)5CL SC2(SO4)3 SC2(SEO3)3*10H2O SCAS SCCL3*6H2O SCH1.97 SCH2 SC(HCO2)3 SC(OH)2CL SC(OH)3

SOLIDS Component Databank: Si

Alias

Name

SI SIC-A SIC-B SIF4*2NC3H9 SIF4*2NH3 SIF4*NC3H9 SIO2 SISE2

SILICON SILICON-CARBIDE-HEXAGONAL-ALPHA SILICON-CARBIDE-CUBIC-BETA SIF4*2N(CH3)3 SIF4*2NH3 SIF4*N(CH3)3 SILICON-DIOXIDE SILICON-DISELENIDE

SOLIDS Component Databank: Sm

Alias

Name

Physical Property Data 11.1

SM2C3O9 SM2(CO3)3 SM2C6O12*10W SM2(C2O4)3*10H2O

Databanks • 1-235

Alias

Name

SM2S3O12 SM2S3O12*8W SM2S3O9 SM2SE3O12*8W SMAS SMBR3O9*9W SMC2 SMCL3*6W SMF3 SMF3*W SMI3 SMI3O9 SMN3O9 SMN3O9*6W SMOCL

SM2(SO4)3 SM2(SO4)3*8H2O SM2(SO3)3 SM2(SEO4)3*8H2O SMAS SM(BRO3)3*9H2O SAMARIUM-DICARBIDE SMCL3*6H2O SMF3 SMF3*H2O SMI3 SM(IO3)3 SM(NO3)3 SM(NO3)3*6H2O SMOCL

SOLIDS Component Databank: Sn

Alias

Name

SN(OH)2-P SN(OH)4-P SNBR2 SNBR2*2NH3 SNBR2*3NH3 SNBR2*5NH3 SNBR2*9NH3 SNBR2*NH3 SNBR4*8W SNC2H6CL2 SNCL2*2.5NH3 SNCL2*2W SNCL2*4NH3 SNCL2*9NH3 SNCL4*1.5PH3 SNI2*2NH3 SNI2*3NH3 SNI2*5NH3 SNI2*9NH3 SNI2*NH3 SNOHCL*W

SN(OH)2-PPTD SN(OH)4-PPTD TIN-DIBROMIDE SNBR2*2NH3 SNBR2*3NH3 SNBR2*5NH3 SNBR2*9NH3 SNBR2*NH3 SNBR4*8H2O SN(CH3)2CL2 SNCL2*2.5NH3 SNCL2*2H2O SNCL2*4NH3 SNCL2*9NH3 SNCL4*1.5PH3 SNI2*2NH3 SNI2*3NH3 SNI2*5NH3 SNI2*9NH3 SNI2*NH3 SNOHCL*H2O

SOLIDS Component Databank: Sr

Alias

Name

SR2AL2SIO7 SR2BI SR2GE SR2O2*FE2O3 SR2PB SR2SB SR2SIO4

(SRO)2*AL2O3*SIO2 SR2BI SR2GE (SRO)2*FE2O3 SR2PB SR2SB STRONTIUM-ORTHOSILICATE

1-236 • Databanks

Physical Property Data 11.1

Physical Property Data 11.1

Alias

Name

SR2SN SR2U3O11 SR2UO5 SR3AL4CL18 SR3AS2 SR3BI2 SR3O3*AL2O3 SR3O3*FE2O3 SR3P2 SR3P2O8 SR3SB2 SR3UO6 SR4AL2O7-A SR4AL2O7-B SR7FE10O22 SRB2F8 SRBI SRBR2 SRBR2*2NH3 SRBR2*6W SRBR2*8NH3 SRBR2*NH3 SRBR2*SRO*3W SRBR2*SRO*9W SRBR2*W SRBR2CO0.5H3 SRBR2O6*W SRBRH SRC2N2*4W SRC2O4 SRC4H6O4 SRC4H6O4.5H SRC4H6O6 SRCL2*2W SRCL2*6W SRCL2*SRO*9W SRCL2*W SRCL2-A SRCL2N8H24 SRCL2NH3 SRCL2O8 SRCL2O8*2W SRCL2O8*4W SRCL2O8N2H6 SRCL2O8N6H18 SRCL2O8N7H21 SRCLH

SR2SN SR2U3O11 SR2UO5 (SRCL2)3*4ALCL3 SR3AS2 SR3BI2 (SRO)3*AL2O3 (SRO)3*FE2O3 SR3P2 SR3(PO4)2 SR3SB2 SR3UO6 (SRO)4*AL2O3-ALPHA (SRO)4*AL2O3-BETA (SRO)7*5FE2O3 SR(BF4)2 SRBI STRONTIUM-BROMIDE SRBR2*2NH3 SRBR2*6H2O SRBR2*8NH3 SRBR2*NH3 SRBR2*SRO*3H2O SRBR2*SRO*9H2O SRBR2*H2O SRBR2*0.5C2H5OH SR(BRO3)2*H2O SRBRH SR(CN)2*4H2O SRC2O4 SR(CH3CO2)2 SR(CH3CO2)2*0.5H2O SR(CH2OHCO2)2 SRCL2*2H2O SRCL2*6H2O SRCL2*SRO*9H2O SRCL2*H2O SRCL2-ALPHA SRCL2*8NH3 SRCL2*NH3 SR(CLO4)2 SR(CLO4)2*2H2O SR(CLO4)2*4H2O SR(CLO4)2*2NH3 SR(CLO4)2*6NH3 SR(CLO4)2*7NH3 SRCLH

Databanks • 1-237

1-238 • Databanks

Alias

Name

SRCN2 SRCO3 SRF2 SRFCL SRH2C2O4 SRH2C2O4*2W SRH4P2O8 SRHFO3 SRHPO4 SRI2*2NH3 SRI2*2PBI2 SRI2*2W SRI2*6NH3 SRI2*6W SRI2*8NH3 SRI2*NH3 SRI2*W SRI2O6 SRI2O6*6W SRI2O6*W SRI6PB2*7W SRIH SRMG2-B SRMOO3 SRN2H4 SRN2H8S2O8 SRN2O2*5W SRN2O4 SRN2O4*W SRN2O6 SRN2O6*4W SRN6 SRN6H18 SRO*AL2O3 SRO2H2*8W SRO2H2*W SRS SRS2I2O4 SRS2O6*4W SRS4I2O8 SRSB SRSE SRSEO3 SRSEO4 SRSO3 SRUO4-A SRUO4-B

SRCN2 STRONTIUM-CARBONATE STRONTIUM-FLUORIDE SRFCL SR(HCO2)2 SR(HCO2)2*2H2O SR(H2PO4)2 SRHFO3 SRHPO4 SRI2*2NH3 SRI2*2PBI2 SRI2*2H2O SRI2*6NH3 SRI2*6H2O SRI2*8NH3 SRI2*NH3 SRI2*H2O SR(IO3)2 SR(IO3)2*6H2O SR(IO3)2*H2O SRI2*2PBI2*7H2O SRIH SRMG2-BETA SRMOO3 SR(NH2)2 SR(NH4)2(SO4)2 SRN2O2*5H2O SR(NO2)2 SR(NO2)2*H2O SR(NO3)2 SR(NO3)2*4H2O SR(N3)2 SR(NH3)6 SRO*AL2O3 SR(OH)2*8H2O SR(OH)2*H2O STRONTIUM-SULFIDE SRI2*2SO2 SRS2O6*4H2O SRI2*4SO2 SRSB SRSE SRSEO3 SRSEO4 SRSO3 SRUO4-ALPHA,RHOMBOHEDRAL SRUO4-BETA,ORTHORHOMBIC

Physical Property Data 11.1

SOLIDS Component Databank: Tb

Alias

Name

TB2C3O9 TB2C6O12*10W TBAS TBBR3O9*9W TBCL3*6W TBI3O9 TBOCL

TB2(CO3)3 TB2(C2O4)3*10H2O TBAS TB(BRO3)3*9H2O TBCL3*6H2O TB(IO3)3 TBOCL

SOLIDS Component Databank: Th

Alias

Name

TH2CO17 TH2CO7 TH2FE17 TH2FE7 TH2N2O TH2NI17 TH3GE TH3GE2 TH3GE5 TH3S7 TH3SI2 TH3SI5 TH7CO3 TH7FE3 TH7S12 THBR4*10W THBR4*12W THBR4*7W THC THC4O8*6W THCL4*12NH3 THCL4*18NH3 THCL4*2W THCL4*4NH3 THCL4*4W THCL4*6NH3 THCL4*7NH3 THCL4*7W THCL4*8W THCL4*NH4CL THCO THCO5 THF4*2.5W THFE3 THFE5 THGE THGE2 THGE3

TH2CO17 TH2CO7 TH2FE17 TH2FE7 DITHORIUM-DINITRIDE-MONOXIDE TH2NI17 TH3GE TH3GE2 TH3GE5 TH3S7 TH3SI2 TH3SI5 TH7CO3 TH7FE3 TH7S12 THBR4*10H2O THBR4*12H2O THBR4*7H2O THC TH(C2O4)2*6H2O THCL4*12NH3 THCL4*18NH3 THCL4*2H2O THCL4*4NH3 THCL4*4H2O THCL4*6NH3 THCL4*7NH3 THCL4*7H2O THCL4*8H2O THCL4*NH4CL THCO THCO5 THF4*2.5H2O THFE3 THFE5 THGE THGE2 THGE3

Physical Property Data 11.1

Databanks • 1-239

Alias

Name

THH3.75 THIN3 THN4O12 THN4O12*4W THN4O12*5W THNI2 THNI5 THOF2 THOHI3*10W THOI2*3.5W THPB3 THSI THSI2 THSN3 THTL3

THH3.75 THIN3 TH(NO3)4 TH(NO3)4*4H2O TH(NO3)4*5H2O THNI2 THNI5 THORIUM-DIFLUORIDE-OXIDE TH(OH)I3*10H2O THOI2*3.5H2O THPB3 THSI THSI2 THSN3 THTL3

SOLIDS Component Databank: Ti

Alias

Name

TI TI3AL TI5SI3-E TIAL TIAL3 TIAS TIBR4*2CH3CN TIBR4*2H2S TIBR4*2PH3 TIBR4*H2S TIBR4*PH3 TICL4*2CH3CN TICL4*2H2S TICL4*2PH3 TICL4*2POCL3 TICL4*H2S TICL4*PH3 TICL4*POCL3 TIF4*CH3CN TIO2 TIP TISB TISI-G TISI2-B

TITANIUM TI3AL TI5SI3-EPSILON TIAL TIAL3 TIAS TIBR4*2CH3CN TIBR4*2H2S TIBR4*2PH3 TIBR4*H2S TIBR4*PH3 TICL4*2CH3CN TICL4*2H2S TICL4*2PH3 TICL4*2POCL3 TICL4*H2S TICL4*PH3 TICL4*POCL3 TIF4*CH3CN TITANIUM-DIOXIDE-RUTILE TIP TISB TISI-GAMMA TISI2-BETA

SOLIDS Component Databank: Tl

Alias

Name

TL2CO3 TL2CRO4 TL2S TL2SE

TL2CO3 TL2CRO4 THALLIUM-SULFIDE DITHALLIUM-SELENIDE

1-240 • Databanks

Physical Property Data 11.1

SOLIDS Component Databank: U

Physical Property Data 11.1

Alias

Name

TL2SE3O9 TL2SEO4 TL2SO4 TL2TE TL2TICL6 TL4V2O7 TLBR*3NH3 TLBR3*4W TLBRO3 TLCH3CO2 TLCL*3NH3 TLCL2BR*4W TLCL3*3NH3 TLCL3*4W TLCLBR2*4W TLHF2 TLI*3NH3 TLIO3 TLN3 TLNO3 TLO3H3 TLOCH3 TLOH TLONC TLSCN TLVO3

TL2(SEO3)3 TL2SEO4 THALLIUM-SULFATE THALLIUM-TELLURIDE TL2TICL6 TL4V2O7 TLBR*3NH3 TLBR3*4H2O TLBRO3 TLCH3CO2 TLCL*3NH3 TLCL2BR*4H2O TLCL3*3NH3 TLCL3*4H2O TLCLBR2*4H2O TLHF2 TLI*3NH3 TLIO3 TLN3 THALLIUM-NITRATE TL(OH)3 TLOCH3 THALLIUM-HYDROXIDE THALLOUS-FULMINATE TLCNS TLVO3

Alias

Name

U(OH)2SO4 U2O4CL3 U3AS4 U3BI4 U3O7-A U3O7-B U3O8-A U3P4 U3SB4 U3SI U3SI2 U4O9 UAL2 UAL3 UAL4 UAS UAS2 UB1.98 UBI

U(OH)2SO4 (UO2)2CL3 U3AS4 U3BI4 U3O7-ALPHA,TETRAGONAL U3O7-BETA,TETRAGONAL U3O8-ALPHA,ORTHORHOMBIC U3P4 U3SB4 U3SI U3SI2 TETRAURANIUM-NONAOXIDE UAL2 UAL3 UAL4 UAS UAS2 UB1.98 UBI

Databanks • 1-241

1-242 • Databanks

Alias

Name

UBI2 UCL2BR UCL2BR2 UCL3BR UCLBR2 UCLBR3 UF2CL2 UF3CL UF4*2.5W-O UF4-M UFCL3 UFE2 UGA UGA2 UGA3 UIN3 UN0.997 UN1.466-B UN1.5 UN1.51-A UN1.59-A UN1.606-A UN1.674-A UN1.73-A UO2.86*0.5W UO2.86*1.5W UO2BR2*3W UO2BR2*W UO2C2O4 UO2C2O4*3W UO2C2O4*W UO2CL2*3W UO2CL2*W UO2CO3 UO2F2*3W UO2H2C2O4 UO2H2C2O4*W UO2KASO UO2KPO4 UO2OHCL*2W UO2OHF*2W UO2OHF*W UO2SEO3 UO2SEO4-A UO2SO3 UO2SO3*4.5W UO2SO4*2.5W

UBI2 UCL2BR UCL2BR2 UCL3BR UCLBR2 UCLBR3 UF2CL2 UF3CL UF4*2.5H2O-ORTHORHOMBIC UF4-MONOCLINIC UFCL3 UFE2 UGA UGA2 UGA3 UIN3 UN0.997 UN1.466-BETA,SESQUINITRIDE UN1.5 UN1.51-ALPHA,SESQUINITRIDE UN1.59-ALPHA,SESQUINITRIDE UN1.606-ALPHA,SESQUINITRIDE UN1.674-ALPHA,SESQUINITRIDE UN1.73-ALPHA,SESQUINITRIDE UO2.86*0.5H2O UO2.86*1.5H2O UO2BR2*3H2O UO2BR2*H2O UO2C2O4 UO2C2O4*3H2O UO2C2O4*H2O UO2CL2*3H2O UO2CL2*H2O UO2CO3 UO2F2*3H2O UO2(HCO2)2 UO2(HCO2)2*H2O UO2KASO4 UO2KPO4 UO2(OH)CL*2H2O UO2(OH)F*2H2O UO2(OH)F*H2O UO2SEO3 UO2SEO4-ALPHA UO2SO3 UO2SO3*4.5H2O UO2SO4*2.5H2O

Physical Property Data 11.1

SOLIDS Component Databank: V

Physical Property Data 11.1

Alias

Name

UO2SO4*3.5W UO2SO4*3W UO2SO4*W UO2SO4-B UO2TEO3 UO3HBR*2W UO4*2W UO4*4W UO6C4H6 UO6C4H6*2W UO6CR*5.5W UO8N2*2W UO8N2*3W UO8N2*6W UO8N2*W UOF2 UOF2*W UOFOH UOFOH*0.5W UP UP2 UPB3 US1.5 US1.9-A US2-B US2O8*4W US2O8*8W US3 USB USB2 USE1.33 USE1.5 USE2-A USI USI2 USI3 USN3 USO6.2.5H2O USO6.3.5H2O UTE UTE1.33 UTE3 UTL3

UO2SO4*3.5H2O UO2SO4*3H2O UO2SO4*H2O UO2SO4-BETA UO2TEO3 UO2(OH)BR*2H2O UO4*2H2O UO4*4H2O UO2(CH3CO2)2 UO2(CH3CO2)2*2H2O UO2CRO4*5.5H2O UO2(NO3)2*2H2O UO2(NO3)2*3H2O UO2(NO3)2*6H2O UO2(NO3)2*H2O UOF2 UOF2*H2O UOF(OH) UOF(OH)*0.5H2O UP UP2 UPB3 US1.5 US1.9-ALPHA,HYPOSTOICHIOMETRIC US2-BETA U(SO4)2*4H2O U(SO4)2*8H2O US3 USB USB2 USE1.33 USE1.5 USE2-ALPHA USI USI2 USI3 USN3 USO6.2.5H2O USO6.3.5H2O UTE UTE1.33 UTE3 UTL3

Alias

Name

V2SI V3O11P2

V2SI (VO)3(PO4)2

Databanks • 1-243

Alias

Name

V3SI V5AL8 V5SI3 VAL3 VO2CL VOCL VOCL2 VOSO4 VSI2

V3SI V5AL8 V5SI3 VAL3 VO2CL VOCL VOCL2 VOSO4 VSI2

SOLIDS Component Databank: W

Alias

Name

W WO2 WO2BR2 WO3 WOBR4 WSI2

TUNGSTEN TUNGSTEN-DIOXIDE WO2BR2 TUNGSTEN-TRIOXIDE WOBR4 WSI2

SOLIDS Component Databank: Y

Alias

Name

Y2C3O9 Y2C6O12*9W Y2O5H5CL Y2S3O12 Y2S3O12*8W Y2SE3O9 Y2ZN17 YAS YC2 YCL3*2CH3NH2 YCL3*3CH3NH2 YCL3*4CH3NH2 YCL3*6W YCL3*CH3NH2 YH2 YH2.6 YH3 YI3 YI3O9 YNBO4 YO2H2CL YO3H3 YRE3O12 YZN YZN11 YZN2-A YZN3 YZN4

Y2(CO3)3 Y2(C2O4)3*9H2O Y2(OH)5CL Y2(SO4)3 Y2(SO4)3*8H2O Y2(SEO3)3 Y2ZN17 YAS YC2 YCL3*2CH3NH2 YCL3*3CH3NH2 YCL3*4CH3NH2 YCL3*6H2O YCL3*CH3NH2 YH2 YH2.6 YH3 YTTRIUM-TRIIODIDE Y(IO3)3 YNBO4 Y(OH)2CL Y(OH)3 Y(REO4)3 YZN YZN11 YZN2-ALPHA YZN3 YZN4

1-244 • Databanks

Physical Property Data 11.1

Alias

Name

YZN5

YZN5

SOLIDS Component Databank: Yb

Alias

Name

YB2C6O12*5W YB2OC YBBR3O9*9W YBC2 YBCL3*6W YBH2 YBI3O9 YBOCL

YB2(C2O4)3*5H2O YB2OC YB(BRO3)3*9H2O YBC2 YBCL3*6H2O YBH2 YB(IO3)3 YBOCL

SOLIDS Component Databank: Zn

Alias

Name

ZN ZN(OH)2 ZN(OH)2-B ZN(OH)2-E ZN2O3H3CL ZN2P2O7 ZN3AS2O8 ZN4C6N6O ZN4CL2O3*5W ZN5BR2O4*13W ZN5CL2O4*11W ZN5N2O14H8 ZN6CL2O5*8W ZN6I2O5*11W ZN9CL2O8*10W ZNAL2O4 ZNAS2 ZNB2O4 ZNBR2*2N2H4 ZNBR2*2NH3 ZNBR2*2W ZNBR2*4NH3 ZNBR2*6NH3 ZNBR2*6NH3*W ZNBR2*NH3 ZNC2H2O4 ZNC2H6O6 ZNC2N2 ZNC2O4*2W ZNC4H10O6 ZNC4H12O4N2 ZNC4H12O6N2 ZNC4H18O4N4 ZNC4H18O6N4

ZINC ZINC-HYDROXIDE ZINC-HYDROXIDE-BETA ZINC-HYDROXIDE-EPSILON ZN2(OH)3CL ZN2(P2O7) ZINC-ARSENATE (ZN(CN)2)3*ZNO ZNCL2*3ZNO*5H2O ZNBR2*4ZNO*13H2O ZNCL2*4ZNO*11H2O ZN(NO3)2*4ZN(OH)2 ZNCL2*5ZNO*8H2O ZNI2*5ZNO*11H2O ZNCL2*8ZNO*10H2O ZNAL2O4 ZNAS2 ZN(BO2)2 ZNBR2*2N2H4 ZNBR2*2NH3 ZNBR2*2H2O ZNBR2*4NH3 ZNBR2*6NH3 ZNBR2*6NH3*H2O ZNBR2*NH3 ZINC-FORMATE ZINC-FORMATE-DIHYDRATE ZINC-CYANIDE ZINC-OXALATE-DIHYDRATE ZINC-ACETATE-DIHYDRATE ZN(CH3CO2)2*2NH3 ZN(CH2OHCOO)2*2NH3 ZN(CH3CO2)2*4NH3 ZN(CH2OHCOO)2*4NH3

Physical Property Data 11.1

Databanks • 1-245

1-246 • Databanks

Alias

Name

ZNC4H24O4N6 ZNC4H24O6N6 ZNC4H30O4N8 ZNC4H6O4 ZNC4H6O6 ZNC4H8O5 ZNC4H8O7 ZNC4H9O4N ZNCL2*2N2H4 ZNCL2*2NH3 ZNCL2*4NH3 ZNCL2*5NH3*W ZNCL2*6NH3 ZNCL2*NH3 ZNCL2AM4W0.5 ZNCL2O8*6W ZNCO3*W ZNI2*2N2H4 ZNI2*2NH3 ZNI2*4NH3 ZNI2*6NH3 ZNI2*NH3 ZNI2O6 ZNN2H4 ZNN2H6CS3 ZNN2O6 ZNN2O6*2W ZNN2O6*4W ZNN2O6*6W ZNN2O6*W ZNN6 ZNO ZNO*2ZNSO4 ZNO2H2-G ZNO2H2-P ZNP2O6 ZNS-1 ZNS-2 ZNS2O6*6W ZNSB ZNSEO3*W ZNSEO4 ZNSEO4*6W ZNSEO4*W ZNSO4 ZNSO4*ZNO2H2 ZNTIO3

ZN(CH3CO2)2*6NH3 ZN(CH2OHCOO)2*6NH3 ZN(CH3CO2)2*8NH3 ZINC-ACETATE ZINC-GLYCOLATE ZINC-ACETATE-HYDRATE ZINC-GLYCOLATE-HYDRATE ZN(CH3CO2)2*NH3 ZNCL2*2N2H4 ZNCL2*2NH3 ZNCL2*4NH3 ZNCL2*5NH3*H2O ZNCL2*6NH3 ZNCL2*NH3 ZNCL2*4NH3*0.5H2O ZN(CLO4)2*6H2O ZINC-CARBONATE-HYDRATE ZNI2*2N2H4 ZNI2*2NH3 ZNI2*4NH3 ZNI2*6NH3 ZNI2*NH3 ZINC-IODATE ZINC-AMIDE ZN(NH3)2CS3 ZINC-NITRATE ZINC-NITRATE-DIHYDRATE ZINC-NITRATE-TETRAHYDRATE ZINC-NITRATE-HEXAHYDRATE ZINC-NITRATE-HYDRATE ZINC-AZIDE ZINC-OXIDE ZNO*2ZNSO4 ZN(OH)2-GAMMA ZN(OH)2-PPTD ZN(PO3)2 ZINC-SULFIDE(SPHALENITE) ZINC-SULFIDE(WURTZITE) ZINC-SULFATE-HEXAHYDRATE ZNSB ZNSEO3*H2O ZINC-SELENATE ZINC-SELENATE-HEXAHYDRATE ZINC-SELENATE-HYDRATE ZINC-SULFATE ZNSO4*ZN(OH)2 ZNTIO3

Physical Property Data 11.1

SOLIDS Component Databank: Zr

Alias

Name

ZR2SI ZR3SI ZR3SI2 ZR5SI3 ZR6SI5 ZRBR4*2CH3CN ZRCL4*2CH3CN ZRF4*2NH4F ZRF4*3NH4F ZRF4*3W ZRF4*NH4F ZRF4*NH4F*W ZRF4*W ZRH2 ZRO2 ZROBR2*3.5W ZROBR2*8W ZROCL2*2W ZROCL2*3.5W ZROCL2*6W ZROCL2*8W ZRS2O8 ZRS2O8*4W ZRS2O8*W ZRSI ZRSI2

ZR2SI ZR3SI ZR3SI2 ZR5SI3 ZR6SI5 ZRBR4*2CH3CN ZRCL4*2CH3CN ZRF4*2NH4F ZRF4*3NH4F ZRF4*3H2O ZRF4*NH4F ZRF4*NH4F*H2O ZRF4*H2O ZRH2 ZIRCONIUM-DIOXIDE ZROBR2*3.5H2O ZROBR2*8H2O ZROCL2*2H2O ZROCL2*3.5H2O ZROCL2*6H2O ZROCL2*8H2O ZR(SO4)2 ZR(SO4)2*4H2O ZR(SO4)2*H2O ZRSI ZRSI2

SOLIDS Component Databank: Other Elements

Alias

Name

ANALCITE AS (AS2O5)3*5W AS2O3*SO3 CHRYSOTILE GE3N4 GEI2 HFB I2 I2O5*HIO3 ICL-A ICL3 IRCL IRCL3C12H30S NESQUEHONITE OSCL3 OSCL4 PO(OH)4 POS

NAALSI2O6*H2O ARSENIC (AS2O5)3*5H2O AS2O3*SO3 MG3SI2O5(OH)4 GERMANIUM-TETRANITRIDE GERMANIUM-DIIODIDE HFB IODINE I2O5*HIO3 ICL-ALPHA ICL3 IRCL IRCL3*3(C2H5)2S MGCO3*3H2O OSCL3 OSCL4 PO(OH)4 POLONIUM-SULFIDE

Physical Property Data 11.1

Databanks • 1-247

1-248 • Databanks

Alias

Name

PYROPHYLLITE RE3SI REAS2 RECL5 RHCL3C12H30S RUBR3 RUCL3C12H30S RUI3 SE(OH)3CLO4 SEO2SO3 S TA2H TA5SI3 TASI2 (TEO2)2SO3 TMC2 TMI3O9 TMOCL

AL2SI4O10(OH)2 RE3SI REAS2 RECL5 RHCL3*3(C2H5)2S RUBR3 RUCL3*3(C2H5)2S RUI3 SE(OH)3CLO4 SEO2SO3 SULFUR TA2H TA5SI3 TASI2 (TEO2)2SO3 TMC2 TM(IO3)3 TMOCL

Physical Property Data 11.1

CHAPTER 2

Electrolytes Data

Overview The Aspen Physical Property System provides extensive built-in parameters for the electrolyte NRTL model. These parameters were developed using data for over 30 industrially important electrolytic systems. This help describes each system including the: • Solution chemistry • Range of applications • Sources of literature used The solution chemistry includes: • Equilibrium reaction indicated by a two way arrow (↔) • Complete dissociation reaction indicated by an arrow (→) • Salt precipitation reaction indicated by a two way arrow (↔). A salt component is indicated by (s) in the formula. The solution chemistry used for all the systems is internally +

consistent. The hydronium ion (H 3 O ) is used for all systems. A single set of model parameters is used to describe the interactions between a given pair of components that may appear in several systems. For some systems, such as caustic systems, it is not possible to describe the data accurately over the entire range of concentration. In that case, a separate set of parameters and components has been developed and are available in the form of an insert file.

Physical Property Data 11.1

Electrolytes Data • 2-1

Table 2.1 System

Electrolytes Data Available in the Aspen Physical Property

System

Apparent Components

2-Amino-2-Methyl-1-Propa nol with acid gas Ammonia and carbon dioxide Ammonia and hydrogen cyanide Ammonia and hydrogen sulfide Ammonia and phosphoric acid Ammonia and sulfur dioxide Ammonia and water

H S, CO , H O 2 2

AMP, 2

NH , CO , H O 3 2 2 NH , HCN, H O 3 2 NH , H S, H O 3 2 2 NH , H S, H PO , H O 3 2 3 4 2 NH , SO , H O 3 2 2

NH , H O 3 2

Brine solution with sour gases Caustic solutions

NaCl, CO , H S, H O 2 2 2

Chlorine

Cl , H O 2 2

NaCl, Na SO , NaOH, H O 2 4 2

Chlorine, hydrogen chloride Cl 2 , HCI, CO 2 , NaOH, H 2 O and sodium hydroxide Diethanolamine with acid DEA, H 2 S, CO 2 , H 2 O gases Diglycolamine with acid DGA, H S, CO , H O 2 2 2 gases Flue-gas and water H O, SO , SO , CO , CO, NO , NO, N , O , 2

2

3

2

2

2

2

HCl, HF, HNO , HNO , H SO , H SeO , HgCl , 3 2 2 4 2 3 2 Hg Cl , Hg, C, Se, SeO , Hg(OH) , CaSO * 2H O, 2 2 2 2 4 2 CaF , CaO, Ca(OH) 2 2

CO

2-2 • Electrolytes Data

Hot carbonate 2 absorption Hot carbonate with diethanolamine Hydrogen bromide

K CO , CO , H O 2 3 2 2

Hydrogen chloride

HCI, H O 2

Hydrogen chloride and magnesium chloride Hydrogen flouride

HCI, M Cl , H O g 2 2

K CO , CO , DEA, H O 2 3 2 2 HBr, H O 2

HF, H O 2

Physical Property Data 11.1

System

Apparent Components

Hydrogen iodide

HI, H O 2

Methyldiethanolamine with MDEA, H 2 S, CO 2 , H 2 O acid gases Monoethanolamine with MEA, H S, CO , H O 2 2 2 acid gases Nitric acid HNO , H O 3 2 Potassium hydroxide

KOH, H O 2

Sodium hydroxide

NaOH, H O 2

Sodium hydroxide and sulfur dioxide Sour water

NaOH, SO , H O 2 2

Sour water and caustic

NH , CO , H S, NaOH, H O 3 2 2 2

Sulfuric acid

H SO , H O 2 4 2

NH , CO , H S, H O 3 2 2 2

Sulfuric acid and hydrogen H 2 SO 4 , HB r , H 2 O bromide Sulfuric acid and hydrogen H 2 SO 4 , HCI, H 2 O chloride

2-Amino-2-Methyl-1-Propanol with Acid Gases The components included in this system are: H 2O, CO 2 , 2-Amino-2-Methyl-1-Propanol (AMP), and water. Henry’s law is used for H 2 S and CO 2 . AMP is a hindered amine. Application: H 2 S, and CO 2 , absorption/stripping with AMP solutions. Solution Chemistry

The aqueous phase reactions considered for this system are:

Physical Property Data 11.1

2 H2 O



H3O++ OH −

H 2 S + H 2O



H3O++ HS −

HS - + H2O



H3O++ S -2

CO2 + 2H2O



H3O++ HCO3

HCO3- + H2O



H3O++ CO3

AMP+ + H2O



H3O++ AMP

-

-2

Electrolytes Data • 2-3

Range of Applicability

Temperatures:

40 – 100°C

AMP Concentration: up to 28.5 weight percent. Data Sources

Bruce E. Roberts and Alan E. Mather, Chem. Eng. Comm., Vol. 65, pp. 105-111 (1988). Tjoon T. Teng and Alan E. Mather, J. Chem. Eng. Data, Vol. 35, pp. 410-411 (1990). Additional Data Packages

A special data package is also available for this amine system in the form of an insert file: KEAMP. This data package contains kinetic reactions and rate constants, allowing you to model the AMP system more accurately using RADFRAC or RATEFRAC.

Ammonia and Carbon Dioxide The components included in this system are: ammonia ( NH 3 ), carbon dioxide ( CO2 ), and water. Henry's law is used for NH 3 and CO2 . Applications: • Sour water stripping • Absorption of CO2 with ammonia Solution Chemistry

The aqueous phase reactions that are considered are: 2H2 O



H3O+ + OH −

CO2 + 2 H2 O



H3O+ + HCO3−

HCO3− + H2O



H3O+ + CO3−2

NH3 + H2O



NH4+ + OH -

NH3 + HCO3−



NH2 CO2− + H2O

Range of Applicability

2-4 • Electrolytes Data

Temperature

0 – 100ºC

Pressure

250 psia

NH 3 concentration

up to approximately 23 molal

CO2 concentration

up to approximately 8 molal

Physical Property Data 11.1

Data Sources

D.H. Miles and G.M. Wilson, "Vapor-liquid Equilibrium Data for Design of Sour Water Strippers," Annual Report to the API for 1974, October 1975. E. Otsaka, S. Yoshimura, M. Yokabe and S. Inque, Kogyo Kagaku Zasshi, 63, 1214 (1960).

Ammonia and Hydrogen Cyanide The components included in this system are: water, ammonia ( NH 3 ), and hydrogen cyanide (HCN). Henry’s law is used for NH 3 and HCN. Application: Absorption of HCN with NH 3 Solution Chemistry

The aqueous phase reactions considered in this system are: 2 H2 O



H3O + + OH −

H2O + NH3



NH4+ + OH −

HCN + H2O



H3O+ + CN −

Range of Applicability

Physical Property Data 11.1

Temperature

0 – 100ºC

NH 3 concentration

up to about 23 molal

Electrolytes Data • 2-5

Ammonia and Hydrogen Sulfide The components included in this system are: ammonia ( NH 3 ), hydrogen sulfide ( H 2 S ), and water. Henry’s law is used for NH 3 and H 2 S . Applications: • Sour water stripping •

Absorption of H 2 S with ammonia

Solution Chemistry

The aqueous phase reactions that are considered are: 2 H2 O



H3O+ + OH −

NH3 + H2 O



NH4+ + OH −

H2 S + H2 O



H3O+ + HS −

HS − + H2 O



H3O + + S −

2

Range of Applicability

Temperature

80 – 120ºC

Pressure

250 psia

NH 3 concentration

up to approximately 23 molal

H 2 S concentration

up to approximately 8 molal

Extrapolation for this system has been checked to produce reasonable results. Data Sources

D.H. Miles and G.M. Wilson, "Vapor-liquid Equilibrium Data for Design of Sour Water Strippers," Annual Report to the API for 1974, October 1975.

2-6 • Electrolytes Data

Physical Property Data 11.1

Ammonia and Phosphoric Acid The components included in this system are: ammonia ( NH 3 ), phosphoric acid ( H 3 PO 4 ), H 2 S , and water. Henry’s law is used for, NH 3 , H 3 PO 4 and H 2 S . Application: Stripping NH 3 , H 2 S from phosphoric acid Solution Chemistry

The aqueous phase reactions considered for this system are: 2H 2 O



H3O+ + OH −

H2O + NH3



NH4+ + OH −

H 2 S + H2 O



H3O+ + HS −

HS − + H2 O



H3O+ + S −2

H3 PO4 + H2 O



H3O+ + H2 PO4−

H 2 PO4− + H2 O



H3O+ + HPO4−2

HPO4−2 + H2 O



H3O+ + PO4−3

Range of Applicability

Temperature

up to 120ºC

H 3 PO 4 concentration

up to 50 weight percent

NH 3 : H 3 PO 4 molar ratio

up to 2

Data Sources

F.A. Lenfesty and Brosheer, J.C., "Ammonia-Phosphoric Acid-Water System at 25°C," J. Chem. and Eng. Data, (1960). N.G. Bunakov and Kharlampovich, G.D., "The pressure of Ammonia Vapor Above Solutions of Ammonium Orthophosphate," Zhurnal Prokladnoi Khimii, Vol. 37, pp. 36–41, (1964).

Physical Property Data 11.1

Electrolytes Data • 2-7

Ammonia and Sulfur Dioxide The components included in this system are: water, ammonia ( NH 3 ), and sulfur dioxide ( SO 2 ). Henry’s law is used for NH 3 and. SO 2 . Application: Absorption of SO 2 with ammonia Solution Chemistry

The aqueous phase reactions considered in this system are: 2H 2 O



H3O+ + OH −

H2O + NH3



NH4+ + OH −

SO2 + 2 H2 O



H3O+ + HSO3−

HSO3- + H2 O



H3O+ + SO3−2

Range of Applicability

Temperature

0 – 100ºC

NH 3 concentration

to about 12 molal

SO 2 concentration

to about 10 molal

Data Sources

H.F. Johnstone and P.W. Leppla, "The Solubility of Sulfur Dioxide at Low Partial Pressures. The Ionization Constant and Heat of Ionization of Sulfurous Acid," J. Am. Chem. Soc, Vol. 56, p. 2233, (1934).

Ammonia and Water The components included in this system are: water and ammonia ( NH 3 ). Henry's law is used for NH 3 . Application: Absorption of NH 3 with water Solution Chemistry

The aqueous phase reactions considered in this system are:

2-8 • Electrolytes Data

2 H2 O



H3O + + OH −

H2O + NH3



NH4+ + OH −

Physical Property Data 11.1

Range of Applicability

Temperature

0 – 150ºC

NH 3 concentration

up to about 23 molal

Additional Data Packages

A special data package is also available for the ammonia system in the form of an insert file: NH3H2O. This data package assumes ammonia as a solvent and uses a special corresponding state method for enthalpy calculation, allowing you to model the ammonia system over the concentration range up to 100 weight percent of ammonia.

Brine Solution with Sour Gases The components included in this system are H 2 S , CO 2 , NaCl and water. Henry's law is used for H 2 S and CO 2 . Applications: • Sea water desalting • •

H 2 S , CO 2 stripping

Downstream processing of water decant in platform separation

Solution Chemistry

The aqueous phase reactions considered in this system are: 2H2O



H3O+ + OH −

H 2 S + H2 O



H3O+ + HS −

HS − + H2 O



H3O+ + S −2

2H2O + CO2



H3O+ + HCO3−

HCO3- + H2O



H3O+ + CO3−2

NaCL



Na + + Cl −

NaCL(s)



Na + + Cl −

Range of Applicability

Physical Property Data 11.1

Temperature

0 – 200ºC

Pressure

up to 1000 atm for CO 2

NaCl concentration

up to saturation

Electrolytes Data • 2-9

Data Sources

The main data source is: S.E. Drummond, Ph.D. thesis, Pennsylvania State University, (1981). Additional Data Packages

A special data package is also available for this brine system in the form of an insert file: EBRINX. This data package uses special parameter values, allowing you to model the brine system over the temperature range up to 400ºC

Caustic Solutions The components included in this system are: sodium hydroxide (NaOH), sodium chloride (NaCl), sodium sulfate ( Na 2SO 4 ), and water. Salt precipitation is considered. Application: • •

Downstream processing of HCl or H 2 SO 4 neutralization Multieffect evaporators in NaOH production

Solution Chemistry

The aqueous phase reactions considered for this system are: NaOH



Na + + OH −

NaCl



Na+ + Cl −

NaCl(s)



Na+ + Cl −

Na2 SO4



2Na+ + SO4−2

Na2 SO4 (s)



2Na+ + SO4−2

GLAUBER(s)



2Na+ + SO4−2 + 10 H2 O

DOUBLE(s)



3Na+ + SO4−2 + OH −

TRIPLE(s)



4Na+ + SO4−2 + Cl − + OH −

Salt precipitation is considered for NaCl(s), Na2SO4(s), as well as for the Glauber, double, and triple salts. Range of Applicability

2-10 • Electrolytes Data

Temperature

0 – 200ºC

Pressure

up to 10 atm

NaOH concentration

up to 50 weight percent

NaCl concentration

up to saturation

Na2SO4 concentration

up to saturation Physical Property Data 11.1

Data Sources

H.L. Silcock, Solubilities of Inorganic and Organic Compounds, Volume 3: Ternary and Multicomponent Systems of Inorganic Substances, Part 2, (Pergamon Press, 1979). W.F. Linke and A. Seidell, Solubilities: Inorganic and MetalOrganic Compounds, 4th ed., Vol. II, Am. Chem. Soc., (1965). W. C. Schroeder, A. Gabriel, and E. P. Partridge, J. Am. Chem. Soc., Vol. 57, (1935), p. 1539.

Chlorine and Water The components included in this system are chlorine ( Cl 2 ) and water. Henry’s law is used for Cl 2 , HCl, and HClO. Application: Absorption of Cl 2 with water Solution Chemistry

The aqueous phase reactions considered in this system are: 2H 2 O



H3O+ +OH -

2H2O + Cl2



H3O+ + Cl - + HClO

HClO + H2O



H3O+ + ClO-

HCl + H2O



H 3O + + Cl-

Range of Applicability

Temperature

0 – 100ºC

This system forms two liquid phases at high concentration. Data Sources

Vapor-liquid equilibrium data used for this system: W. F. Linke, Solubilities, Inorganic and Metal-Organic Compounds, 4th ed.,Vol. I, (Princeton, NJ: D. Van Nostrand Co., 1958), pp. 782-783.

Chlorine, Hydrogen Chloride, and Sodium Hydroxide The components included in this system are: chlorine ( Cl 2 ), carbon dioxide ( CO 2 ), hydrogen chloride (HCl), sodium hydroxide (NaOH), and water. Henry's law is used for Cl 2 , CO 2 , HCl and HClO. Physical Property Data 11.1

Electrolytes Data • 2-11

Application: Cl 2 - NaOH scrubber with the addition of HCl Solution Chemistry

The aqueous phase reactions considered for this system are: 2H 2 O



H3O+ +OH -

CO2 + 2H2O



H3O+ + HCO3

HCO3 − + H2O



H3O+ + CO3 −2

Cl2 + 2H2O



H 3O++Cl - + HClO

HClO + H 2O



H3O+ + ClO-

HCl + H2O



H3O+ + Cl -

NaOH



Na+ + OH −

Na2CO3



Na+ + CO3 −2

NaHCO3



Na+ + HCO3 −

NaCl



Na+ + Cl −

NaCLO



Na+ + ClO −

Range of Applicability

Temperature

0 – 100°C

HCl concentration

up to 40 weight percent

NaOH concentration

up to 40 weight percent

Data Sources

Jurgen Krey, "Dampfdruck und Dichte des Systems H 2 O -NAOH," Z. Phys. Chem. Neue Folge, Bd. 81, (1972), p. 252. I.A. Dibrov, G.Z. Maltsev, and V.P. Masovets, "Saturated Vapor Pressure of Caustic Soda and Sodium Aluminate Solution in the 25-350 C Temperature Range Over a Wide Range of Concentrations, Zh. Prik. Khimii," Vol. 37, (1964), No. 9, pp. 1920-1929. J.W. Bertetti and W.L. McCabe, Ind. Eng. Chem., 28, p. 247, (1936). H.R. Wilson and W.L. McCabe, "Specific Heats and Heats of Dilution of Concentrated Sodium Hydroxide Solutions," Ind. Eng. Chem., Vol. 34, p. 558, (1942). Horvath, Handbook of Aqueous Electrolyte Solutions, 1986.

2-12 • Electrolytes Data

Physical Property Data 11.1

W. F. Linke, Solubilities, Inorganic and Metal-Organic Compounds, 4th ed., Vol. I, D. Van Nostrand Co., Priceton, NJ, (1958), pp. 782-783. D.D. Wagman et al., J. Phys. Chem. Ref. Data, Vol. 11, (1982), Suppl 2. R.H. Pery and C. H. Chilton, Chemical Engineer’s Handbook, 5th ed., (1973) McGraw-Hill. R. Vega and J. H. Vera, Can. J. Chem. Eng., Vol.54, (1976), p. 245. R. Hasse et al., Coll. Czech. Chem. Comm. Engl. Edn., Vol. 37, p. 220, (1963).

Diethanolamine with Acid Gases The components included in this system are: H 2 S , CO2 , diethanolamine (DEA), and water. Henry’s law is used for H 2 S and CO2 . Enthalpy of solution data is used to develop this model. Application: H 2 S and CO2 absorption/stripping with DEA solutions Solution Chemistry

The aqueous phase reactions considered for this system are: 2H 2 O



H3O+ +OH -

H 2 S + H 2O



H3O+ + HS -

HS - + H2O



H3O+ + S -2

2H2O + CO2



H3O+ + HCO3-

HCO3- + H2O



H3O+ + CO3-2

DEA+ + H2 O



DEA + H3O+

DEACOO− + H2O



DEA + HCO3-

Range of Applicability

Temperature

up to 140ºC

DEA Concentration

up to 30 weight percent

Data Sources

The parameter values are obtained from: D.M. Austgen, G.T. Rochelle, X. Peng and C.C. Chen, "A Model of Vapor-Liquid Equilibria in the Aqueous Acid Gas-

Physical Property Data 11.1

Electrolytes Data • 2-13

Alkanolamine System Using the Electrolyte-NRTL Equation," paper presented at the New Orleans AICHE meeting, March 1988. Helton, R., J.J. Christensen and R.M. Izatt, Enthalpies of Solution of CO2 in Aqueous Diethanolamine Solutions," RR-108, Gas Processors Association, 1987. Van Dam, R., J.J. Christensen, R.M. Izatt and J.L. Oscarson, "Enthalpies of Solution of H2S in Aqueous Diethanolamine Solutions, RR-114, Gas Processors Association, 1988. Additional Data Packages

Two special data packages are also available for this amine system in the form of insert files: KDEA and KEDEA. Both data packages contain kinetic reactions and rate constants, allowing you to model the DEA system more accurately using RADFRAC or RATEFRAC. The main difference between KDEA and KEDEA is that KDEA uses option set of SYSOP15M and KEDEA uses option set of ELECNRTL.

Diglycolamine with Acid Gases The components included in this system are: H 2 S , CO2 , diglycolamine (DGA), and water. Henry’s law is used for H 2 S and CO2 .

Application: H 2 S and CO2 absorption/stripping with DGA solutions Solution Chemistry

The aqueous phase reactions considered in this system are: 2H 2 O



H3O+ +OH -

DGA + 2H2O



DGA+ + OH -

H 2 S + H 2O



H3O+ + HS -

HS - + H2O



H3O+ + S -2

CO2 + 2H2O



H3O+ + HCO3-

HCO3- + H2O



H3O+ + CO3-2

HCO3- + DGA



H2O+ DGACOO-

Range of Applicability

2-14 • Electrolytes Data

Temperature

up to 100ºC

DGA concentration

up to 65 weight percent

Physical Property Data 11.1

Additional Data Packages

A special data package is also available for this amine system in the form of an insert file: KEDGA. This data package contains kinetic reactions and rate constants, allowing you to model the DGA system more accurately using RADFRAC or RATEFRAC.

Flue-Gas and Water This is a special data package in the form of an insert file: FLUE_G. The components included in the flue-gas / water system are: water, SO2, SO3, CO, CO2, NO, NO2, N2, O2, HCl, HF, HNO3, HNO2, H2SO4, H2SeO3, HgCl2, Hg2Cl2, Hg, C, Se, SeO2, Hg(OH) 2, CaSO4*2H2O, CaF2, CaO and Ca(OH) 2. Henry’s law is used for SO2, CO, CO2, NO, N2, O2, HCl and Hg. Salt precipitation is considered. Application: flue-gas cleaning for fossil power plant and waste incineration plant Solution Chemistry

The reactions that are considered in this system are shown as follows:

Physical Property Data 11.1

2 H2 O



H3O+ + OH −

CO2 + 2 H2 O



H3O+ + HCO3 −

HCO3 − + H2 O



H3O+ + CO3 −2

SO3 + 2 H 2 O



H3O+ + HSO4-

H2O + H2 SO4



H3O+ + HSO4-

H 2 O + HSO4−



H3O+ + SO4-2

HCl + H2 O



H3O+ + Cl −

H2O + HF



H3O+ + F -

H2O + HNO3



H3O+ + NO3−

H 2 O + HNO2



H 3O+ + NO2−

SO2 + 2 H2 O



H3O+ + HSO3−

HSO3- + H2 O



H3O+ + SO3−2

SeO2 + 2 H 2 O



H 3O + + HSeO3−

HSeO3- + H 2 O



H3O + + SeO3−2

Electrolytes Data • 2-15

H2 SeO3 + H2 O



H 3O + + HSeO3-

Hg +2 + Hg



Hg 2+2

Hg +2 + 2 H 2 O



H 3O + + Hg ( OH ) +

Hg (OH ) + + 2 H2 O



H 3O + + Hg ( OH )2

Hg +2 + Cl −



HgCl +

HgCl + + Cl −



HgCl2

HgCl2 + Cl −



HgCl3−

NO + NO2 + H 2 O



2 HNO2

HgCl2 + 3 H 2 O + 0.5C



Hg + 2Cl − + 2 H 3O + + 0.5CO2

SO2 + 2 H 2 O + 0.5SeO2



HSO4− + H 3O + + 0.5Se

SO2 + NO2



SO3 + NO

SO2 + 0.5O2



SO3

SO2 + NO2



SO3 + NO

Ca( OH ) +



Ca +2 + OH −

2 NO2 + 0.5O2 + H 2 O



2 HNO3

CaO + H 2 O



Ca ( OH ) + + OH −

HgCl2 + 5 H 2 O + SO2



Hg + 2Cl − + 3 H 3O + + HSO4−

Hg 2 Cl2



Hg2+2 + 2Cl −

HgCl2(s)



HgCl + + Cl −

CaSO4* 2 H 2 O(s)



Ca +2 + SO4−2 + 2 H 2 O

CaF2(s)



Ca +2 + 2 F −

Ca( OH ) 2 (s)



Ca ( OH ) + + OH −

Range of Applicability

Temperature

0 – 100°C

Data Sources

M. Luckas, K. Lucas and H. Roth, AIChE Journal, Vol. 40, pp 1892-1900, (1994).

2-16 • Electrolytes Data

Physical Property Data 11.1

H. L. Clever, S. A. Johnson and M. E. Derrick, J. Phys. Chem. Ref. Data, Vol. 14, pp 631-680, (1985). L. D. Hansen, R. M. Izatt and J. J. Christensen, Inorg. Chem., Vol. 2, pp 1243-1245, (1963).

Hot Carbonate CO2 Absorption The components included in the hot carbonate CO 2 absorption system are: water, CO 2 , and potassium carbonate ( K 2CO3 ). Henry’s law is used for CO 2 . Salt precipitation is considered. Application: CO 2 absorption/stripping with K 2CO3 solutions Solution Chemistry

The aqueous phase reactions that are considered in this system are shown as follows: K 2CO3



2K + + CO3 −2

KHCO3



K + + HCO3 −

CO2 + 2 H2 O



H3O+ + HCO3 −

HCO3 − + H2 O



H3O+ + CO3 −2

2 H2 O



H3O+ + OH −

K 2CO3 ( s)



2K + + HCO3 −

KHCO3 ( s )



K + + HCO3 −

Range of Applicability

Temperature

70 – 140ºC

Pressure

up to approximately 150 psia

K 2CO3 oncentration

up to 40 weight percent

Extrapolation to higher temperature, pressure, and potassium carbonate concentration will also give reasonable results. Data Sources

J. S. Tosh, J.H. Field, H.E. Benson, and W.P. Haynes, "Equilibrium Study of the System Potassium-Carbonate, Potassium Bicarbonate, Carbon Dioxide, and Water.", Report of Investigation 5484, U.S. Department of Interior, 1959.

Physical Property Data 11.1

Electrolytes Data • 2-17

Hot Carbonate with Diethanolamine The components included in this system are: CO 2 , potassium carbonate ( K 2CO3 ), diethanolamine (DEA), and water. Henry’s law is used for CO 2 . Application: CO 2 absorption/stripping with K 2CO3 and DEA solutions Solution Chemistry

The aqueous phase reactions considered in this system are: 2 H2 O



H3O+ + OH −

CO2 + H2O



H3O+ + HCO3 −

HCO3 − + H2 O



H3O+ + CO3 −2

DEA+ + H2 O



DEA + H3O+

DEACOO− + H2O



DEA + HCO3-

K 2CO3



2K + + CO3-2

KHCO3



K + + HCO3-

Range of Applicability

Temperature

70 – 140ºC

Pressure

up to approximately 150 psia

K 2CO3 concentration

up to 40 weight percent

DEA concentration

up to 30 weight percent

Data Sources

J. S. Tosh, J.H. Field, H.E. Benson, and W.P. Haynes, "Equilibrium Study of the System Potassium-Carbonate, Potassium Bicarbonate, Carbon Dioxide, and Water.", Report of Investigation 5484, U.S. Department of Interior, 1959. D.M. Austgen, G.T. Rochelle, X. Peng and C.C. Chen, "A Model of Vapor-Liquid Equilibria in the Aqueous Acid GasAlkanolamine System Using the Electrolyte-NRTL Equation," Paper presented at the New Orleans AICHE Meeting, March, 1988.

2-18 • Electrolytes Data

Physical Property Data 11.1

Hydrogen Bromide The components included in this system are: water and hydrogen bromide (HBr). Application: Absorption of HBr from gas or air using water Solution Chemistry

The aqueous phase reaction considered in this system is: HBr + H2 O



HBr + H2 O

+ The H 2O dissociation reaction is not considered because the H3O concentration is determined primarily by HBr dissociation reaction.

Range of Applicability

Temperature

25 – 125ºC

Pressure

up to 780 torr

HBr concentration

up to 60 weight percent

Data Sources

D.D. Wagman et al., J. Phys. Chem. Ref. Data, Vol. 11, (1982), Suppl 2. S.J. Bates, and H.D. Kirschman, J. Am. Chem. Soc, Vol. 41, (1991), p. 1919. L. Chevaller and Gaston-Bonhomme Y.H., J. Chem. Eng. Data, (1980), Vol. 25, p. 271. R. Hasse et al., Collin Czech. Chem. Comm. Engl. Edn., Vol. 37, (1963), p. 220. G. Wuster, G. Wozny, and Z. Giazitzoglou, Fluid Phase Eq., Vol. 6, (1981), p. 93. International Critical Tables, Vol. 3, p. 306.

Hydrogen Chloride The components included in this system are: water and hydrogen chloride (HCl). Henry's law is used for HCl. Application: Absorption of HCl from gas or air, using water

Physical Property Data 11.1

Electrolytes Data • 2-19

Solution Chemistry

The aqueous phase reaction considered in this system is: HCl + H2 O



H3O+ + Cl −

The water dissociation reaction is not considered because the

H3O + concentration is determined primarily by HCl dissociation

reaction. Range of Applicability

Temperature

0 – 110ºC

Pressure

up to 2 bar

HCl concentration

up to 40 weight percent

Data Sources

D. D. Wagman, et al., J. Phys. Chem. Ref. Data, Vol. 11, (1982), Suppl 2. R. H. Perry, and C.H. Chilton, Chemical Engineer’s Handbook, 5th ed., McGraw-Hill, (1973). R. Vega, and J.H. Vera, Can. J. Chem. Eng., Vol. 54, (1976), p. 245. Hasse, R. et al., Collin Czech. Chem. Comm. Engl. Edn., Vol. 37, (1963), p. 220. Additional Data Packages

Two special data package are also available for hydrogen chloride system in the form of insert files: EHCLLE and EHCLFF. EHCLLE is for liquid-liquid equilibrium applications. EHCLFF uses the vapor-liquid equilibria (VLE) data of Fritz and Fuget (Ind. And Eng. Chem., 10, 1956) instead of those from Perry and Chilton in parameter regression. It is believed that the VLE data of Fritz and Fuget is more accurate at low concentration range.

Hydrogen Chloride and Magnesium Chloride The components included in this system are: water, hydrogen chloride (HCl), and magnesium chloride ( MgCl 2 ). Henry's law is used for HCl. Application: • Extractive distillation of HCl •

2-20 • Electrolytes Data

Breaking the H 2O -HCl azeotrope

Physical Property Data 11.1

Solution Chemistry

The aqueous phase reaction considered in this system is: H2O + HCl



H3O+ + Cl -

MgCl2



Mg+2 + 2Cl −

Range of Applicability

Temperature

0 – 100°C

HCl concentration

up to 40 weight percent

MgCl 2 concentration

up to 6 m

Data Sources

T. Sako et al., J. Chem. Eng. Data, Vol. 30, (1985), pp. 224-228. N. Pochtarev and Kozhemyakin, V.A., Tsvetn. Met., Vol. 4, (1977), pp. 47-49.

Hydrogen Fluoride The components included in this system are: water and hydrogen fluoride (HF). Hydrogen fluoride is treated as a solvent, so Henry's law is not used. Application: Absorption of HF from gas or air, using water Solution Chemistry

The aqueous phase reaction considered in this system is: H2O + HF



H3O+ + F -

Range of Applicability

Temperature

25 – 100ºC

Pressure

up to 1.2 bar

HF concentration

up to 100 weight percent

Data Sources

D. D. Wagman et al., J. Phys. Chem. Ref. Data, (1982), 11, Suppl 2. J. C. Brosheer, F.A. Lenfesty, and K.L. Elmore, Ind. Eng. Chem, Vol. 39, No. 3, (1947), p. 423. P. A. Munter, Aepli, O.T., and Kossatz, R.A., Ind. Eng. Chem., Vol. 39, No. 3, (1947), p. 427. Weast, Handbook of Chemistry and Physics, (CRC Press: 198788), p. D-122.

Physical Property Data 11.1

Electrolytes Data • 2-21

Additional Data Packages

A special data package is also available for the hydrogen fluoride system in the form of an insert file: MHF2. This data package uses option set of ENRTL-HF which considers HF association in the vapor phase.

Hydrogen Iodide and Water The components included in this system are hydrogen iodide (HI) and water. Henry’s Law is used for HI. Application: Absorption of HI from gas or air, using water Solution Chemistry

The aqueous phase reaction considered in this system is: HI + H2O



H3O+ + I − +

Water dissociation is not considered because the H3O concentration is determined primarily by HI dissociation reaction. Range of Applicability

Temperature

25 – 130ºC

Pressure

up to 1 bar

HI concentration

up to 70 weight percent

Data Sources

D. D. Wagman, et al., J. Phys. Chem. Ref. Data, Vol. 11, (1982), Suppl 2. T. Sako, et al., Kagaku Kogako Ronbunshu, Vol. 7, No. 2, (1981), p. 191. S. J. Bates, and H.D. Kirschman, J. Am. Chem. Soc., Vol. 41, (1991) p. 1919.

Methyldiethanolamine with Acid Gases The components included in this system are: H 2S , CO2 , methyldiethanolamine (MDEA), and water. Henry's law is used for H 2S and CO2 . Enthalpy of solution data is used to develop this

model. Application: H 2S and CO2 absorption/stripping with MDEA solutions

2-22 • Electrolytes Data

Physical Property Data 11.1

Solution Chemistry

The aqueous phase reactions considered for this system are: 2H 2 O



H3O+ + OH −

H 2 S + 2 H 2O



H3O+ + HS −

HS − + H2O



H3O+ + S −2

CO2 + 2 H2O



H3O+ + HCO3 −

HCO3− + H2O



H3O+ + CO3 −2

MDEA + + H2O



H3O+ + MDEA

Range of Applicability

Temperature

25 – 120°C

MDEA concentration

up to 51.4 weight percent

Data Sources

Jou Fang-Yuan et al., Can. J. Chem. Eng., Vol. 71, (1993), p. 264. Jou Fang-Yuan, A. E. Mather and F. D. Otto, Ind. Eng. Chem. Process Des. Dev., Vol. 21, (1982), p. 539. D. M. Austgen, G. T. Rochelle, and C. -C. Chen, Ind. Eng. Chem. Res., Vol. 30, (1991), p. 543. Jou Fang-Yuan, J.J. Carroll, A.E. Mather, and F.D. Otto, J. Chem. Eng. Data, Vol. 38, (1993), p. 75. Merkley, K.E., J.J. Christensen and R.M. Izatt, "Enthalpies of Solution of CO2 in Aqueous Methyldiethanolamine Solutions," RR-102, Gas Processors Association, 1986. Oscarson, J.L., and R.M. Izatt, "Enthalpies of Solution of H2S in Aqueous Diethanolamine Solutions," RR-127, Gas Processors Association, 1990. Additional Data Packages

Three special data packages are also available for this amine system in the form of insert files: KMDEA, KEMDEA and PMDEA. Both KMDEA and KEMDEA contain kinetic reactions and rate constants, allowing you to model the MDEA system more accurately using RADFRAC or RATEFRAC. The main difference between KMDEA and KEMDEA is that KMDEA uses option set of SYSOP15M and KEMDEA uses option set of ELECNRTL. PMDEA is based on the work of Posey and Rochelle ( Ind. Eng. Chem. Res., Vol. 36, 1997, p. 3944-3953). PH and conductivity data are utilized to supplement vapor-liquid equilibria data in parameter regression. The result at low acid gas loading is improved.

Physical Property Data 11.1

Electrolytes Data • 2-23

Monoethanolamine with Acid Gases The components included in this system are: H 2S , CO2 , monoethanolamine (MEA), and water. Henry’s law is used for H 2S and CO2 .

Applications: • Cleaning natural gas or flue gas •

H 2S , CO2 absorption/stripping using aqueous MEA solutions

Solution Chemistry

The aqueous phase reactions considered in this system are: 2H 2 O



H3O+ + OH −

H 2 S + 2 H 2O



H3O+ + HS −

HS − + H2O



H3O+ + S −2

CO2 + 2 H2O



H3O+ + HCO3−

HCO3− + H2O



H3O+ + CO3−2

MEA + + H2O



H3O+ + MEA

MEACOO − + H2O



HCO3− + MEA

Range of Applicability

Temperature

up to 120ºC

MEA concentration

up to 50 weight percent

Data Sources

The parameter values are obtained from: D.M. Austgen, G.T. Rochelle, X. Peng, and C.C. Chen, "A Model of Vapor-Liquid Equilibria in the Aqueous Acid GasAlkanolamine System Using the Electrolyte-NRTL Equation," Paper presented at the New Orleans AICHE Meeting, March 1988. Additional Data Packages

Two special data packages are also available for this amine system in the form of insert files: KMEA and KEMEA. Both data packages contain kinetic reactions and rate constants, allowing you to model the MEA system more accurately using RADFRAC or RATEFRAC. The main difference between KMEA and KEMEA is that KMEA uses option set of SYSOP15M and KEMEA uses option set of ELECNRTL.

2-24 • Electrolytes Data

Physical Property Data 11.1

Nitric Acid The components included in this system are nitric acid ( HNO3 ) and water. Application: Nitric acid distillation Solution Chemistry

The aqueous phase reaction considered in this system is: H2O + HNO3



H3O+ + NO3−

+ Water dissociation is not considered because the H3O

concentration is determined primarily by HNO3 dissociation reaction. Range of Applicability

Temperature

0 – 100°C

HNO3 concentration

up to 100 weight percent

Data Sources

D. D. Wagman et al., J. Phys. Chem. Ref. Data, Vol. 11, (1982), Suppl 2. R. H. Perry and C.H. Chilton, Chemical Engineer’s Handbook, 6th ed., McGraw-Hill, (1984). Kirk Othmer, Encyclopedia of Chemical Technology, Vol. 15, p. 855.

Potassium Hydroxide The components included in this system are potassium hydroxide (KOH) and water. Application: Upstream of neutralization Solution Chemistry

The aqueous phase reaction considered in this system is: KOH



K + + OH −

Range of Applicability

Physical Property Data 11.1

Temperature

0 – 80°C

KOH concentration

up to 36 weight percent

Electrolytes Data • 2-25

Data Sources

H. S. Harned and B. B. Owen, The Physical Chemistry of Electrolytic Solutions, 3rd ed., Reinhold Publishing Corporation, New York (1958). D. D. Wagman et al., J. Phys. Chem. Ref. Data, Vol. 11, (1982), Suppl. 2.

Sodium Hydroxide The components included in this system are sodium hydroxide (NaOH) and water. Application: Upstream of neutralization Solution Chemistry

The aqueous phase reaction considered in this system is: NaOH



Na + + OH −

Range of Applicability

Temperature

0 – 200ºC

NaOH concentration

up to 40 weight percent

Data Sources

Jurgen Krey, Dampfdruck und Dichte des Systems H2O-NAOH Z. Phys. Chem. Neue Folge, Bd. 81, (1972), p. 252. I. A. Dibrov, G. Z. Maltsev, and V. P. Masovets, "Saturated Vapor Pressure of Caustic Soda and Sodium Aluminate Solution in the 25-350 C Temperature Range of Concentrations," Zh. Prik. Khimii, Vol. 37, No. 9, (1964), pp. 1920-1929. J. W. Bertetti and W. L. McCabe, Ind. Eng. Chem., Vol. 28, (1936), p 247. H. R. Wilson and W. L. McCabe, "Specific Heats and Heats of Dilution of Concentrated Sodium Hydroxide Solutions," Ind. Eng. Chem., Vol. 34, (1942), p. 558. Horvath, Handbook of Aqueous Electrolyte Solutions, (1986). Additional Data Packages

A special data package is also available for the sodium hydroxide system in the form of an insert file: MNAOH. This data package considers ion hydration effect, allowing you to model the sodium hydroxide system over the concentration range up to 60 weight percent.

2-26 • Electrolytes Data

Physical Property Data 11.1

Sodium Hydroxide and Sulfur Dioxide The components included in this system are: water, sulfur dioxide ( SO 2 ), and sodium hydroxide (NaOH). Henry’s law is used for SO 2 .

Application: Absorption of SO 2 in NaOH solution Solution Chemistry

The aqueous phase reactions considered in this system are: 2H 2 O



H3O+ + OH −

2 H 2O + SO2



H3O+ + HSO3 −

HSO3− + H2O



H3O+ + SO3−2

NaOH



Na+ + OH −

Range of Applicability

Temperature

35 – 90ºC

NaOH concentration

up to 8 molal

SO2 concentration

up to 7 molal

Data Sources

H.F. Johnstone et al., "Recovery of Sulfur Dioxide From Waste Gases," Ind. Eng. Chem., Vol. 30, (1938), p. 101. Jurgen Krey, Dampfdruck und Dichte des Systems H2O-NAOH Z. Phys. Chem. Neue Folge, Bd. 81, (1972), p. 252. I. A. Dibrov, G. Z. Maltsev, and V. P. Masovets, "Saturated Vapor Pressure of Caustic Soda and Sodium Aluminate Solution in the 25-350 C Temperature Range of Concentrations," Zh. Prik. Khimii, Vol. 37, No. 9, (1964), pp. 1920-1929. J. W. Bertetti and W. L. McCabe, Ind. Eng. Chem., Vol. 28, (1936), p 247. H. R. Wilson and W. L. McCabe, "Specific Heats and Heats of Dilution of Concentrated Sodium Hydroxide Solutions," Ind. Eng. Chem., Vol. 34, (1942), p. 558. Horvath, Handbook of Aqueous Electrolyte Solutions, (1986). E. Otsaka, S. Yoshimura, M. Yokabe, and S. Inque, Kogyo Kagaku Zasshi, Vol. 63, (1960), p. 1214.

Physical Property Data 11.1

Electrolytes Data • 2-27

Sour Water The components included in this sour water system are: ammonia ( NH 3 ), hydrogen sulfide ( H 2S ), carbon dioxide ( CO2 ), and water. Henry’s law is used for NH 3 , CO2 , and H 2S . Application: Sour water stripping Solution Chemistry

The aqueous phase reactions that are considered in this system are: 2H 2 O



H3O+ + OH −

H 2 S + H2 O



H3O+ + HS −

HS - + H2 O



H3O+ + S −2

CO2 + 2 H2 O



H3O+ + HCO3−

HCO3− + H2O



H3O+ + CO3−2

NH3 + H2O



NH4+ + OH -

NH3 + HCO3−



NH2 CO2− + H2O

Range of Applicability

Temperature

0 – 120ºC

Maximum Pressure

250 psia

NH 3 concentration

up to about 23 molal

H 2S concentration

up to about 8 molal

CO2 concentration

up to about 8 molal

Extrapolation of this system has been checked to produce reasonable results. Data Sources

D.H. Miles and G.M. Wilson, "Vapor-liquid Equilibrium Data for Design of Sour Water Strippers," Annual Report to the API for 1974, October 1975.

Sour Water and Caustic The components included in this system are: water, ammonia ( NH 3 ), hydrogen sulfide ( H 2S ), carbon dioxide ( CO2 ), and caustic (NaOH). Henry's law is used for NH 3 , CO2 , and H 2S . Applications: Sour water with caustic

2-28 • Electrolytes Data

Physical Property Data 11.1

Solution Chemistry

The aqueous phase reactions considered in this system are: 2H 2 O



H3O+ + OH −

H 2 S + 2 H 2O



H3O+ + HS −

HS − + H2O



H3O+ + S −2

CO2 + 2 H2O



H3O+ + HCO3−

HCO3− + H2O



H3O+ + CO3−2

NH3 + H2 O



NH4+ + OH −

NH3 + HCO3−



NH2 CO2− + H2O

NaOH



NA + + OH −

Range of Applicability

Temperature

0 – 100ºC

Pressure

250 psi

NH 3 concentration

up to 23 molal

H 2S concentration

up to 8 molal

CO2 concentration

up to 8 molal

NaOH concentration

up to 20 weight percent

Data Sources

D.H. Miles and G.M. Wilson, "Vapor-Liquid Equilibrium Data for Design of Sour Water Strippers," Annual Report to the API for 1974, October 1975. Jurgen Krey, Dampfdruck und Dichte des Systems H2O-NAOH Z. Phys. Chem. Neue Folge, Bd. 81, (1972), p. 252. E. Otsaka, S. Yoshimura, M. Yokabe, and S. Inque, Kogyo Kagaku Zasshi, Vol. 63, (1960), p. 1214. I. A. Dibrov, G. Z. Maltsev, and V. P. Masovets, "Saturated Vapor Pressure of Caustic Soda and Sodium Aluminate Solution in the 25-350 C Temperature Range of Concentrations," Zh. Prik. Khimii, Vol. 37, No. 9, (1964), pp. 1920-1929. J. W. Bertetti and W. L. McCabe, Ind. Eng. Chem., Vol. 28, (1936), p. 247. H. R. Wilson and W. L. McCabe, "Specific Heats and Heats of Dilution of Concentrated Sodium Hydroxide Solutions," Ind. Eng. Chem., Vol. 34, (1942), p. 558.

Physical Property Data 11.1

Electrolytes Data • 2-29

Horvath, Handbook of Aqueous Electrolyte Solutions, (1986).

Sulfuric Acid The components included in this system are: water and sulfuric acid ( H 2SO4 ). Application: Sulfuric acid production Solution Chemistry

The aqueous phase reactions considered in this system are: H2O + H2 SO4



H3O+ + HSO4-

H 2 O + HSO4−



H3O+ + SO4-2

Range of Applicability

Temperature

0 – 200ºC

H 2SO4 concentration

up to 98 weight percent

Data Sources

D. D. Wagman et al., J. Phys. Chem. Ref. Data, Vol. 11, (1982), Suppl 2. R. H. Perry and C.H. Chilton, Chemical Engineer’s Handbook, 6th ed., McGraw-Hill, (1984).

Sulfuric Acid and Hydrogen Bromide The components included in this system are sulfuric acid ( H 2SO4 ), hydrogen bromide, and water. Application: Simultaneous HBr + H 2SO4 absorption Break azeotrope H 2O + H2SO4 Solution Chemistry

The aqueous phase reactions considered in this system are:

2-30 • Electrolytes Data

H2 SO4 + H2O



H3O+ + HSO4-

HSO4− + H2O



H3O+ + SO4-2

HBr + H2O



H3O+ + Br -

Physical Property Data 11.1

Range of Application

Temperature

25 – 125°C

HBr concentration

up to 60 weight percent

H 2SO4 concentration

up to 98 weight percent

Data Sources

D.D. Wagman et al., J. Phys. Chem. Ref. Data, Vol. 11, (1982), Suppl 2. S.J. Bates, and H.D. Kirschman, J. Am. Chem. Soc, Vol. 41, (1991), p. 1919. L. Chevaller and Gaston-Bonhomme Y.H., J. Chem. Eng. Data, (1980), Vol. 25, p. 271. R. Hasse et al., Collin Czech. Chem. Comm. Engl. Edn., Vol. 37, (1963), p. 220. G. Wuster, G. Wozny, and Z. Giazitzoglou, Fluid Phase Eq., Vol. 6, (1981), p. 93. International Critical Tables, Vol. 3, p. 306. R. H. Perry and C. H. Chilton, Chemical Engineer’s Handbook, 6th ed., McGraw-Hill, (1984).

Sulfuric Acid and Hydrogen Chloride The components included in this system are: water, hydrogen chloride (HCl), and sulfuric acid ( H 2SO4 ). Henry's law is used for HCl. Applications: •

Simultaneous HCl + H 2SO4



Break azeotrope H 2O + H 2SO4

Solution Chemistry

The aqueous phase reactions considered in this system are:

Physical Property Data 11.1

H2O + H2 SO4



H3O+ + HSO4-

HSO4− + H2O



H3O+ + SO4-2

H2O + HCl



H3O+ + Cl -

Electrolytes Data • 2-31

Range of Applications

Temperature

0 – 110°C

HCl concentration

up to 16 molal

H 2SO4 concentration

up to 100 weight percent

Data Sources

D. D. Wagman et al., J. Phys. Chem. Ref. Data, Vol. 11, (1982), Suppl 2. R. H. Perry and C.H. Chilton, Chemical Engineer’s Handbook, 6th ed., McGraw-Hill, (1984). J-L. E. Chevalier and Y. H. Gaston-Bonhomme, J. Chem. Eng. Data, Vol. 25, (1980), p. 271.

2-32 • Electrolytes Data

Physical Property Data 11.1

CHAPTER 3

Group Contribution Method Functional Groups

Overview The tables in this chapter list the groups for each of the group contribution methods available in the Aspen Physical Property System. The tables are: • PCES Functional Groups • UNIFAC Functional Groups

PCES Functional Groups Tables 3.1 through 3.11A list the functional groups for the methods used in the Property Constant Estimation System (PCES). There are two types of functional groups: • •

Group increments, such as – CH 3 or –COO–3 Corrections, such as the correction for the presence of a benzene ring

You must identify both kinds of functional groups for any method used. Identify group increments to account for all the atoms in a molecule. Then identify any corrections to be applied. The group definitions for most methods are obtained from Reid et al., The Properties of Gases and Liquids, 3rd and 4th editions, McGraw-Hill, 1977 and 1987. Groups for the Bondi Method are adapted from A. Bondi, Physical Properties of Molecular Liquids, Wiley, 1968. Groups for the Ogata-Tsuchida method are from Reid and Sherwood, The Properties of Gases and Liquids, 2nd edition,

Physical Property Data 11.1

Group Contribution Method Functional Groups • 3-1

McGraw-Hill, 1966. Slight modifications have been made to the group definitions for the Fedors and Parachor methods. Table 3.1 Ambrose Method Functional Groups

Functional Group

1

Group Number

Carbon Atoms in Alkyl Groups

100

Corrections: >CH- (each) >CC=O O=CH- (aldehyde) -COOH (acid) -CO-O-CO- (anhydride) -COO- (ester) -NO2 -NH2 >NH >N-CN -S-SH -SIH3 -O-SI(CH3)2 -F -CL -BR -I

106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124

Halogen Corrections in Aliphatic Compounds

-F is present -F is absent, but -CL, -BR, -I are present Aliphatic alcohols3, -OH3

3-2 • Group Contribution Method Functional Groups

125 126 127

Physical Property Data 11.1

Ring Compound Increments (listed only when different from aliphatic values)

>CH2 >CH- (in fused ring) Double Bond -O>NH -S-

128 129 130 131 132 133

Aromatic Compounds

Benzene Pyridine C4H4 (fused as in Naphthalene) -F -CL -BR -I -OH Corrections for nonhalogenated substitutions First substitution Each subsequent Ortho pairs containing -OH Ortho pairs with no -OH

134 135 136 137 138 139 140 141 142 143 144 145

Highly Fluorinated Aliphatic Compounds

-CF3, >CF2, >CF>CF2, >CF- (RING) >CF- (in fused ring) -H (monosubstitution) Double bond (nonring) Double bond (ring)

146 147 148 149 150 151

Compound Containing Only

Halogen

152

Silicon

>SI< >SIH-SI-O-SI-O-(ring)

Physical Property Data 11.1

153 154 155 156

Group Contribution Method Functional Groups • 3-3

Table 3.2 Benson Method Functional Groups

Functional Group

Group Number

Hydrocarbon Groups

C-(C)(H)3 C-(C)2(H)2 C-(C)3(H) C-(C)4 CD-(H)2 4 CD-(C)(H) CD-(C)2 CD-(CD)(H) CD-(CD)(C) CD-(CD)2 CD-(CB)(H) CD-(CB)(C) CD-(CB)2 CD-(CT)(H) CD-(CT)(C) C-(CD)(H)3 C-(CD)2(H)2 C-(CD)(C)(H)2 C-(CD)(C)3 C-(CD)(C)(H)2 C-(CD)(C)2(H) C-(CD)2(C)(H) C-(CT)(H)3 C-(CT)(C)(H)2 C-(CT)(C)2(H) C-(CT)(C)3 C-(CB)(H)3 C-(CB)(C)(H)2 C-(CB)(C)2(H) C-(CB)(C)3 C-(CB)2(C)(H) C-(CB)2(C)2 C-(CB)(CD)(H)2 CT-(H) 5 CT-(C) CT-(CD) CT-(CB) CB-(H) 6

3-4 • Group Contribution Method Functional Groups

100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 402 125 126 127 128 129 130 131 132 133 134 135 136

Physical Property Data 11.1

Functional Group

Group Number

Hydrocarbon Groups

CB-(C) CB-(CD) CB-(CT) CB-(CB) CA 7 CBF-(CB)2(CBF) CBF-(CB)(CBF)2 CBF-(CBF)3

137 138 139 140 141 142 143 144

8

Next-Nearest-Neighbor Correction

Alkane Gauche Alkene Gauche Cis Ortho

145 146 147 148

Corrections for Ring Compounds

Cyclopropane Cyclopropene Cyclobutane Cyclobutene Cyclopentane Cyclopentene Cyclopentadiene Cyclohexane Cyclohexene Cycloheptane Cyclooctane Naphthalene

149 150 151 152 153 154 155 156 157 158 159 160

Oxygen-Containing Compounds

CO-(CO)(H) CO-(CO)(C) CO-(O)(CD) CO-(O)(CB) CO-(O)(C) CO-(O)(H) CO-(CD)(H) CO-(CB)2 CO-(CB)(C) CO-(CB)(H)

Physical Property Data 11.1

161 162 163 164 165 166 167 168 169 170

Group Contribution Method Functional Groups • 3-5

Functional Group

Group Number

Oxygen-Containing Compounds

CO-(C)2 CO-(C)(H) CO-(H)2 O-(CB)(CO) O-(CO)2 O-(CO)(O) O-(CO)(CD) O-(CO)(C) O-(CO)(H) O-(O)(C) O-(O)2 O-(O)(H) O-(CD)2 O-(CD)(C) O-(CD)(H) O-(CB)2 O-(CB)(C) O-(CB)(H) O-(C)2 O-(C)(H) CD-(CO)(O) CD-(CO)(C) CD-(CO)(H) CD-(O)(CD) CD-(O)(C) CD-(O)(H) CB-(CO) CB-(O) C-(CO)2(H)2 C-(CO)(C)2(H) C-(CO)(C)(H)2 C-(CO)(C)3 C-(CO)(H)3 C-(O)2(C)2 C-(O)2(C)(H) C-(O)2(H)2 C-(O)(CB)(H)2 C-(O)(CB)(C)(H)

3-6 • Group Contribution Method Functional Groups

171 172 173 174 175 176 177 178 179 180 181 182 183 184 401 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207

Physical Property Data 11.1

Functional Group

Group Number

Oxygen-Containing Compounds

C-(O)(CD)(H)2 C-(O)(C)3 C-(O)(C)2(H) C-(O)(C)(H)2 C-(O)(H)3 C-(O)(CT)(H)2 C-(O)(C)2(CT)

208 209 210 211 212 403 404

Strain and Ring Corrections for OxygenContaining Compounds

Ether Oxygen, Gauche Ditertiary Ethers Ethylene Oxide Trimethylene Oxide Tetrahydrofuran Tetrahydropyran 1,3-Dioxane 1,4-Dioxane 1,3,5-Trioxane Furan Dihydropyran Cyclopentanone Cyclohexanone Succinic Anhydride Glutaric Anhydride Maleic Anhydride

213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228

Nitrogen-Containing Compounds

C-(N)(H)3 C-(N)(C)(H)2 C-(N)(C)2(H) C-(N)(C)3 N-(C)(H)2 N-(C)2(H) N-(C)3 N-(N)(H)2 N-(N)(C)(H) N-(N)(C)2 N-(N)(CB)(H) NI-(H) 9

Physical Property Data 11.1

229 230 231 232 233 234 235 236 237 238 239 240

Group Contribution Method Functional Groups • 3-7

Functional Group

Group Number

Nitrogen-Containing Compounds

NI-(C) NI-(CB) NA-(H) 10 NA-(C) N-CB)(H)2 N-(CB)(C)(H) N-(CB)(C)2 N-(CB)2(H) CB-(N) NA-(N) CO-(N)(H) CO-(N)(C) N-(CO)(H)2 N-(CO)(C)(H) N-(CO)(C)2 N-(CO)(CB)(H) N-(CO)2(H) N-(CO)2(C) N-(CO)2(CB) C-(CN)(C)(H)2 C-(CN)(C)2(H) C-(CN)(C)3 C-(CN)2(C)2 CD-(CN)(H) CD-(CN)(C) CD-(CN)2 CD-(NO2)(H) CB-(CN) CT-(CN) C-(NO2)(C)(H)2 C-(NO2)(C)2(H) C-(NO2)(C)3 C-(NO2)2(C)(H) O-(NO)(C) O-(NO2)(C)

3-8 • Group Contribution Method Functional Groups

241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275

Physical Property Data 11.1

Functional Group

Group Number

Ring Corrections for Nitrogen-Containing Compounds

Ethyleneimine Azetidine Pyrrolidine Piperidine Succinimide

276 277 278 279 280

Halogen Groups

C-(F)3(C) C-(F)2(H)(C) C-(F)(H)2(C) C-(F)2(C)2 C-(F)(H)(C)2 C-(F)(C)3 C-(F)2(CL)(C) C-(CL(3(C) C-(CL)2(H)(C) C-(CL)(H)2(C) C-(CL)2(C)2 C-(CL)(H)(C)2 C-(CL)(C)3 C-(BR)3(C) C-(BR)(H)2(C) C-(BR)(H)(C)2 C-(BR)(C)3 C-(I)(H)2(C) C-(I)(H)(C)2 C-(I)(C)(CD)(H) C-(I)(CD)(H)2 C-(I)(C)3 C-(CL)(BR)(H)(C) N-(F)2(C) C-(CL)(C)(O)(H) C-(I)2(C)(H) C-(I)(O)(H)2 CD-(F)2 CD-(CL)2 CD-(BR)2 CD-(F)(CL)

Physical Property Data 11.1

281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311

Group Contribution Method Functional Groups • 3-9

Functional Group

Group Number

Halogen Groups

CD-(F)(BR) CD-(CL)(BR) CD-(F)(H) CD-(CL)(H) CD-(BR)(H) CD-(I)(H) CD-(C)(CL) CD-(C)(I) CD-(CD)(CL) CD-(CD)(I) CT-(CL) CT-(BR) CT-(I) CB-(F) CB-(CL) CB-(BR) CB-(I) C-(CB)(F)3 C-(CB)(BR)(H)2 C-(CB)(I)(H)2 C-(CL)2(CO)(H) C-(CL)3(CO) CO-(CL)(C)

312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334

Corrections for Next-Nearest-Neighbor Halogen Compounds

Ortho (F)(F) Ortho (CL)(CL) Ortho (alkane)(halogen) 11 Cis (halogen)(halogen) 11 Cis (alkane)(halogen) 11

335 336 337 338 339

Organosulfur Groups

C-(H)3(S) C-(C)(H)2(S) C-(C)2(H)(S) C-(C)3(S) C-(CB)(H)2(S) C-(CD)(H)2(S) CB-(S)

3-10 • Group Contribution Method Functional Groups

340 341 342 343 344 345 346

Physical Property Data 11.1

Functional Group

Group Number

Organosulfur Groups

CD-(H)(S) CD-(C)(S) S-(C)(H) S-(CB)(H) S-(C)2 S-(C)(CD) S-(CD)2 S-(CB)(C) S-(CB)2 S-(S)(C) S-(S)(CB) S-(S)2 C-(SO)(H)3 C-(C)(SO)(H)2 C-(C)3(SO) C-(CD)(SO)(H)2 CB-(SO) SO-(C)2 SO-(CB)2 C-(SO2)(H)3 C-(C)(SO2)(H)2 C-(C)2(SO2)(H) C-(C)3(SO2) C-(CD)(SO2)(H)2 C-(CB)(SO2)(H)2 CB-(SO2) CD-(H)(SO2) CD-(C)(SO2) SO2-(CD)(CB) SO2-(CD)2 SO2-(C)2 SO2-(C)(CB) SO2-(CB)2 SO2-(SO2)(CB) CO-(S)(C) S-(H)(CO) C-(S)(F)3 CS-(N)2

Physical Property Data 11.1

347 348 349 350 351 352 353 354 355 356 357 358 359 360 361 362 363 364 365 366 367 368 369 370 371 372 373 374 375 376 377 378 379 380 381 382 383 384

Group Contribution Method Functional Groups • 3-11

Functional Group

Group Number

Organosulfur Groups

N-(CS)(H)2 S-(S)(N) N-(S)(C)2 SO-(N)2 N-(SO)(C)2 SO2-(N)2 N-(SO2)(C)2

385 386 387 388 389 390 391

Ring Corrections for Sulfur-Containing Compounds

Thiirane Trimethylene Sulfide Tetrahydrothiophene Thiacyclohexane Thiacycloheptane 3-Thiocyclopentene 2-Thiocyclopentene Thiophene

392 393 394 395 396 397 398 399

Symmetry and Optical Isomers 12 Corrections

Symmetry Optical Isomers

405 406

Other

Ortho or Para Substitution on Pyridine O-(CD)(H) C-(CT)(C)3 C-(O)(CT)(H)2 C-(O)(C)2(CT)

400 401 402 403 404

Silicon Groups

SI-(C)(H)3 SI-(C)2(H)2 SI-(C)3(H) SI-(C)4 SI-(SI)(H)3 SI-(SI)2(H)2 SI-(SI)2(C)2 SI-(SI)(C)3 SI-(SI)4 C-(SI)(C)(H)2 3-12 • Group Contribution Method Functional Groups

407 408 409 410 411 412 413 414 415 416

Physical Property Data 11.1

Functional Group

Group Number

Silicon Groups

C-(SI)(C)2(H) C-(SI)(H)3 SI-(C)(CL)3 SI-(C)2(CL)2 SI-(C)3(CL) SI-(C)(F)3 SI-(C)3(BR) SI-(C)3(I) SI-(C)(H)(CL)2 SI-(C)2(H)(CL) SI-(O)(F)3 SI-(O)3(CL) SI-(SI)(F)3 SI-(SI)2(F)2 SI-(SI)(CL)3 SI-(SI)(O)3 SI-(O)3(H) SI-(C)(O)3 SI-(C)2(O)2 SI-(C)3(O) SI-(O)4 O-(SI)(O) O-(SI)2 O-(SI)(C) O-(SI)(H) SI-(SI)(C)(O)2 C-(SI)(O)(H)2 SI-(CB)4 SI-(CB)2(CL)2 SI-(CB)(O)3 SI-(CB)2(C)(H) CB-(SI) O-(SI)(CB)

417 418 419 420 421 422 423 424 425 426 427 428 429 430 431 432 433 434 435 436 437 438 439 440 441 442 443 444 445 446 447 448 449

Boron Groups

B-(C)3 C-(B)(C)(H)2 C-(B)(C)2(H) C-(B)(H)3

Physical Property Data 11.1

450 451 452 453

Group Contribution Method Functional Groups • 3-13

Functional Group

Group Number

Boron Groups

B-(CB)3 CB-(B) B-(O)3 B-(O)2(H) B-(O)(H)2 B-(B)(O)2 O-(B)(C) O-(B)(H) O-(B)(CB) O-(B)(O) B-(C)2(O) B-(CB)(O)2 B-(S)3 S-(B)(C) S-(B)(CB) B-(N)3 B-(C)2(N) B-(C)(N)(O) N-(B)(C)2 N-(B)(C)(H) B-(O)(F)2 B-(O)2(F) B-(B)(F)2 B-(C)(F)2 B-(N)2(CL) B-(N)(CL)2 B-(B)(CL)2 B-(O)2(CL) B-(O)(CL)2 B-(C)2(CL) B-(CB)2(CL) B-(CB)(CL)2 B-(C)2(BR) B-(CB)2(BR) B-(CB)(BR)2 B-(C)2(I)

3-14 • Group Contribution Method Functional Groups

454 455 456 457 458 459 460 461 462 463 464 465 466 467 468 469 470 471 472 473 474 475 476 477 478 479 480 481 482 483 484 485 486 487 488 489

Physical Property Data 11.1

Functional Group

Group Number

Aluminum Groups

AL-(C)3 C-(AL)(C)(H)2 AL-(C)2(H) C-(AL)(H)3 AL-(AL)(CL)2

490 491 492 494 495

Silicon in Ring Correction

Table 3.2A BensonR8 Method Functional Groups

SI (ring-4) SI (ring-5)

496 497

Functional Group

Group Number

Hydrocarbon Groups

C-(C)(H)3 C-(C)2(H)2 C-(C)3(H) C-(C)4 CD-(H)2 4 CD-(C)(H) CD-(C)2 CD-(CD)(H) CD-(CD)(C) CD-(CD)2 CD-(CB)(H) CD-(CB)(C) CD-(CB)2 CD-(CT)(H) CD-(CT)(C) C-(CD)(H)3 C-(CD)2(H)2 C-(CD)(C)(H)2 C-(CD)(C)3 C-(CD)(C)(H)2 C-(CD)(C)2(H) C-(CD)2(C)(H) C-(CT)(H)3 C-(CT)(C)(H)2 C-(CT)(C)2(H) C-(CT)(C)3

Physical Property Data 11.1

100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 402

Group Contribution Method Functional Groups • 3-15

Functional Group

Group Number

Hydrocarbon Groups

C-(CB)(H)3 C-(CB)(C)(H)2 C-(CB)(C)2(H) C-(CB)(C)3 C-(CB)2(C)(H) C-(CB)2(C)2 C-(CB)(CD)(H)2 CT-(H) 5 CT-(C) CT-(CD) CT-(CB) CB-(H) 6 CB-(C) CB-(CD) CB-(CT) CB-(CB) CA 7 CBF-(CB)2(CBF) CBF-(CB)(CBF)2 CBF-(CBF)3

8

125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144

Next-Nearest-Neighbor Correction

Alkane Gauche Alkene Gauche Cis Ortho

145 146 147 148

Corrections for Ring Compounds

Cyclopropane Cyclopropene Cyclobutane Cyclobutene Cyclopentane Cyclopentene Cyclopentadiene Cyclohexane Cyclohexene Cycloheptane Cyclooctane Naphthalene

3-16 • Group Contribution Method Functional Groups

149 150 151 152 153 154 155 156 157 158 159 160

Physical Property Data 11.1

Functional Group

Group Number

Oxygen-Containing Compounds

CO-(CO)(H) CO-(CO)(C) CO-(O)(CD) CO-(O)(CB) CO-(O)(C) CO-(O)(H) CO-(CD)(H) CO-(CB)2 CO-(CB)(C) CO-(CB)(H) CO-(C)2 CO-(C)(H) CO-(H)2 O-(CB)(CO) O-(CO)2 O-(CO)(O) O-(CO)(CD) O-(CO)(C) O-(CO)(H) O-(O)(C) O-(O)2 O-(O)(H) O-(CD)2 O-(CD)(C) O-(CD)(H) O-(CB)2 O-(CB)(C) O-(CB)(H) O-(C)2 O-(C)(H) CD-(CO)(O) CD-(CO)(C) CD-(CO)(H) CD-(O)(CD) CD-(O)(C) CD-(O)(H) CB-(CO) CB-(O)

Physical Property Data 11.1

161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 401 185 186 187 188 189 190 191 192 193 194 195 196 197

Group Contribution Method Functional Groups • 3-17

Functional Group

Group Number

Oxygen-Containing Compounds

C-(CO)2(H)2 C-(CO)(C)2(H) C-(CO)(C)(H)2 C-(CO)(C)3 C-(CO)(H)3 C-(O)2(C)2 C-(O)2(C)(H) C-(O)2(H)2 C-(O)(CB)(H)2 C-(O)(CB)(C)(H) C-(O)(CD)(H)2 C-(O)(C)3 C-(O)(C)2(H) C-(O)(C)(H)2 C-(O)(H)3 C-(O)(CT)(H)2 C-(O)(C)2(CT)

198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 403 404

Strain and Ring Corrections for OxygenContaining Compounds

Ether Oxygen, Gauche Ditertiary Ethers Ethylene Oxide Trimethylene Oxide Tetrahydrofuran Tetrahydropyran 1,3-Dioxane 1,4-Dioxane 1,3,5-Trioxane Furan Dihydropyran Cyclopentanone Cyclohexanone Succinic Anhydride Glutaric Anhydride Maleic Anhydride

3-18 • Group Contribution Method Functional Groups

213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228

Physical Property Data 11.1

Functional Group

Group Number

Nitrogen-Containing Compounds

C-(N)(H)3 C-(N)(C)(H)2 C-(N)(C)2(H) C-(N)(C)3 N-(C)(H)2 N-(C)2(H) N-(C)3 N-(N)(H)2 N-(N)(C)(H) N-(N)(C)2 N-(N)(CB)(H) NI-(H) 9 NI-(C) NI-(CB) NA-(H) 10 NA-(C) N-CB)(H)2 N-(CB)(C)(H) N-(CB)(C)2 N-(CB)2(H) CB-(N) NA-(N) CO-(N)(H) CO-(N)(C) N-(CO)(H)2 N-(CO)(C)(H) N-(CO)(C)2 N-(CO)(CB)(H) N-(CO)2(H) N-(CO)2(C) N-(CO)2(CB) C-(CN)(C)(H)2 C-(CN)(C)2(H) C-(CN)(C)3 C-(CN)2(C)2 CD-(CN)(H) CD-(CN)(C) CD-(CN)2

Physical Property Data 11.1

229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266

Group Contribution Method Functional Groups • 3-19

Functional Group

Group Number

Nitrogen-Containing Compounds

CD-(NO2)(H) CB-(CN) CT-(CN) C-(NO2)(C)(H)2 C-(NO2)(C)2(H) C-(NO2)(C)3 C-(NO2)2(C)(H) O-(NO)(C) O-(NO2)(C)

267 268 269 270 271 272 273 274 275

Ring Corrections for Nitrogen-Containing Compounds

Ethyleneimine Azetidine Pyrrolidine Piperidine Succinimide

276 277 278 279 280

Halogen Groups

C-(F)3(C) C-(F)2(H)(C) C-(F)(H)2(C) C-(F)2(C)2 C-(F)(H)(C)2 C-(F)(C)3 C-(F)2(CL)(C) C-(CL(3(C) C-(CL)2(H)(C) C-(CL)(H)2(C) C-(CL)2(C)2 C-(CL)(H)(C)2 C-(CL)(C)3 C-(BR)3(C) C-(BR)(H)2(C) C-(BR)(H)(C)2 C-(BR)(C)3 C-(I)(H)2(C) C-(I)(H)(C)2 C-(I)(C)(CD)(H) C-(I)(CD)(H)2

3-20 • Group Contribution Method Functional Groups

281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301

Physical Property Data 11.1

Functional Group

Group Number

Halogen Groups

C-(I)(C)3 C-(CL)(BR)(H)(C) N-(F)2(C) C-(CL)(C)(O)(H) C-(I)2(C)(H) C-(I)(O)(H)2 CD-(F)2 CD-(CL)2 CD-(BR)2 CD-(F)(CL) CD-(F)(BR) CD-(CL)(BR) CD-(F)(H) CD-(CL)(H) CD-(BR)(H) CD-(I)(H) CD-(C)(CL) CD-(C)(I) CD-(CD)(CL) CD-(CD)(I) CT-(CL) CT-(BR) CT-(I) CB-(F) CB-(CL) CB-(BR) CB-(I) C-(CB)(F)3 C-(CB)(BR)(H)2 C-(CB)(I)(H)2 C-(CL)2(CO)(H) C-(CL)3(CO) CO-(CL)(C)

Physical Property Data 11.1

302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334

Group Contribution Method Functional Groups • 3-21

Functional Group

Group Number

Corrections for Next-Nearest-Neighbor Halogen Compounds

Ortho (F)(F) Ortho (CL)(CL) Ortho (alkane)(halogen) 11 Cis (halogen)(halogen) 11 Cis (alkane)(halogen) 11

335 336 337 338 339

Organosulfur Groups

C-(H)3(S) C-(C)(H)2(S) C-(C)2(H)(S) C-(C)3(S) C-(CB)(H)2(S) C-(CD)(H)2(S) CB-(S) CD-(H)(S) CD-(C)(S) S-(C)(H) S-(CB)(H) S-(C)2 S-(C)(CD) S-(CD)2 S-(CB)(C) S-(CB)2 S-(S)(C) S-(S)(CB) S-(S)2 C-(SO)(H)3 C-(C)(SO)(H)2 C-(C)3(SO) C-(CD)(SO)(H)2 CB-(SO) SO-(C)2 SO-(CB)2 C-(SO2)(H)3 C-(C)(SO2)(H)2 C-(C)2(SO2)(H) C-(C)3(SO2) C-(CD)(SO2)(H)2

3-22 • Group Contribution Method Functional Groups

340 341 342 343 344 345 346 347 348 349 350 351 352 353 354 355 356 357 358 359 360 361 362 363 364 365 366 367 368 369 370

Physical Property Data 11.1

Functional Group

Group Number

Organosulfur Groups

C-(CB)(SO2)(H)2 CB-(SO2) CD-(H)(SO2) CD-(C)(SO2) SO2-(CD)(CB) SO2-(CD)2 SO2-(C)2 SO2-(C)(CB) SO2-(CB)2 SO2-(SO2)(CB) CO-(S)(C) S-(H)(CO) C-(S)(F)3 CS-(N)2 N-(CS)(H)2 S-(S)(N) N-(S)(C)2 SO-(N)2 N-(SO)(C)2 SO2-(N)2 N-(SO2)(C)2

371 372 373 374 375 376 377 378 379 380 381 382 383 384 385 386 387 388 389 390 391

Ring Corrections for Sulfur-Containing Compounds

Thiirane Trimethylene Sulfide Tetrahydrothiophene Thiacyclohexane Thiacycloheptane 3-Thiocyclopentene 2-Thiocyclopentene Thiophene

392 393 394 395 396 397 398 399

Symmetry and Optical Isomers 12 Corrections

Symmetry Optical Isomers

Physical Property Data 11.1

405 406

Group Contribution Method Functional Groups • 3-23

Functional Group

Group Number

Other

Table 3.3 Bondi Method Functional Groups

Ortho or Para Substitution on Pyridine O-(CD)(H) C-(CT)(C)3 C-(O)(CT)(H)2 C-(O)(C)2(CT) SYMMETRY OPTICAL-ISOMER

400 401 402 403 404 405 406

Functional Group

Group Number

Carbon Increments

-CH3 >CH2 >CH>C< =CH2 =CH=C< =C= (allene) ≡CH ≡C-C≡ (diacetylene) =CH- (aromatic) =CN=N-CN -NO2

115 116 117 118 119 120

Oxygen Increments

-O- (aliphatic) -O- (aromatic) -OH >C=O 3-24 • Group Contribution Method Functional Groups

121 122 123 124

Physical Property Data 11.1

Functional Group

Group Number

Oxygen Increments

O=CH- (aldehyde) -COO- (ester)

125 126

Sulfur Increments

-S- (aliphatic) -S- (hetero, aromatic) 2-Thiophenyl 3-Thiophenyl -S-S- (aliphatic) -SH >S=O (aliphatic) >SO2 (aliphatic) -O-SO2-O- (aliphatic)

127 128 129 130 131 132 133 134 135

Halogen Increments

-F (aliphatic) 13 -F (aromatic) -F (other) -CL (aliphatic) 13 -CL (aromatic, per) -CL (aromatic, mono, di, tri) -CL (other) -BR (aliphatic) 13 -BR (aromatic) -BR (other) -I (aliphatic) 13 -I (aromatic) -I (other)

136 137 138 139 140 141 142 143 144 145 146 147 148

Corrections for Intramolecular Effects

Single bond between conjugated double bonds Single bond adjacent to carboxyl group (>C=O) Single bond adjacent to amide group (=NH) Cyclopropyl ring in single bond attachment Cyclopentyl or cyclohexyl ring in single bond attachment Methylene ring condensed to aromatic ring system as in tetralin Dioxane ring

Physical Property Data 11.1

149 150 151 152 153 154 155

Group Contribution Method Functional Groups • 3-25

Table 3.3A Ducros Method Functional Groups

Functional Group

Group Number

Hydrocarbon Groups

C-(C)(H)3 C-(C)2(H)2 C-(C)3(H) C-(C)4 CD-(H)2 CD-(C)(H) CD-(C)2 CD-(CD)(H) CD-(CD)(C) CD-(CD)2 C-(CD)(H)3 C-(CD)2(H)2 C-(CD)(C)3 C-(CD)(C)(H)2 C-(CD)(C)2(H) C-(CT)(H)3 C-(CT)(C)(H)2 C-(CT)(C)2(H) C-(CB)(H)3 C-(CB)(C)(H)2 C-(CB)(C)2(H) C-(CB)(C)3 C-(CB)(CH3)(H)2 C-(CB)(CH2CH3)(H C-(CB)(CH3)2(H) C-(CB)(CH3)(CH2C CT-(H) CT-(C) CB-(H) CB-(C)

100 101 102 103 104 105 106 107 108 109 115 116 118 119 120 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136

Benzene Substitution

ORTHO META

145 146

Corrections for Ring Compounds

Cyclopentane Cyclopentene Cyclopentadiene Cyclohexane

3-26 • Group Contribution Method Functional Groups

147 148 149 150

Physical Property Data 11.1

Functional Group

Group Number

Corrections for Ring Compounds

Cyclohexene Cyclohexadiene

151 152

Oxygen-Containing Compounds

CO-(O)(C) CO-(C)(H) O-(CO)(C) O-(CO)(H) C-(CO)(C)2(H) C-(CO)(C)(H)2 C-(CO)(C)3 C-(CO)(H)3 C-(O)2(C)2 C-(O)2(C)(H) C-(O)2(H)2 C-(O)(C)3 C-(O)(C)2(H) C-(O)(C)(H)2 C-(O)(H)3 O-(C)(H) O-(CO)(C) O-(C)2 (nonring) CO-(C)2 O-(C)2 (ring)

165 172 178 179 199 200 01 202 203 204 205 209 210 211 212 400 402 403 421 445

Corrections for Next-Nearest-Neighbor of Oxygen-Containing Groups Containing Groups

O-(C)(H) (primary) O-(C)2 (2-alkoxyethanol) O-(C)2 (2-alkoxyethyl acetate) NC1 (number of primary carbons of alpha carbons for group 403) NC2 (number of secondary carbons of alpha carbons for group 403) NC3 (number of third carbons of alpha carbons for group 403) NCALPHA(>CH-) (number of alpha carbons with three-way branch for groups 403) NCALPHA(>CCH-) (number of alpha carbons 426 with three-way branch for groups 421) NCALPHA(>CCH-) (number of alpha carbons with three-way branch for groups 428, 429) NCALPHA(>CCH-) (number of alpha carbons with three-way branch for group 411) NCALPHA(>CCH-) (number of alpha carbons with three-way branch for group 439) NCALPHA(>CCH2 >CH 14 >C< =CH2 =CH=C< =C= ≡CH

100 101 102 103 104 105 106 107 108

≡C-

109

Oxygen Increments -

COOH (acid) -CO-O-CO- (anhydride) -COO- (ester) -O-OC-CO-O- (oxalate) >C=O -O-O- (aromatic)

3-34 • Group Contribution Method Functional Groups

110 111 112 113 114 115 116

Physical Property Data 11.1

Functional Group

Group Number

Oxygen Increments

-OH (alcohols) -OH (aromatic) O=CH- (aldehyde)

117 118 119

Nitrogen Increments

-NH2 -NH2 (aromatic) >NH >NH (aromatic) >N>N- (aromatic) -N= -CN -CN (aromatic)

120 121 122 123 124 125 126 127 128

Sulfur Increments

-SH -S-S-S-

129 130 131

Halogen Increments

-F 15 -F (disubstituted) -F (trisubstituted) -F (aromatic) -F (perfluoro) -CL -CL (disubstituted) -CL (trisubstituted) -BR -I -I (aromatic)

132 133 134 135 136 137 138 139 140 141 142

Corrections for Ring Compounds

3-Member 4-Member 5-Member 6-Member Heteroatom in the ring Substitution on carbon in a double bond (nonaromatic)

Physical Property Data 11.1

143 144 145 146 147 148

Group Contribution Method Functional Groups • 3-35

Functional Group

Group Number

Corrections for Ring Compounds

Orthosubstitution in a benzene ring Ring-Ring attached

149 150

Other corrections

Conjugation, per double bond

151

Other Increments

Adjacent pairs of >CH-F (C=C)

152 153

Silicon

>SI< >SI< (Siloxane) >SI< (Siloxane, ring)

Table 3.4A Gani Method Functional Groups

154 155 156

The First-Order Groups

Functional Group

Group Number

Nonring Increments

-CH3 >CH2 >CH>C< -CH=CH2 -CH=CH>C=CH2 -CH=C< >C=C< CH2=C=CH -C#CH (alkine) -C#C (alkine)

1015 1010 1005 1000 1070 1065 1060 1055 1050 4995 2655 2650

Benzene Ring Increments

-ACH= >AC= CH3-AC -CH2-AC >CH-AC

3-36 • Group Contribution Method Functional Groups

1105 1100 1160 1155 1150

Physical Property Data 11.1

Functional Group

Group Number

Oxygen Increments

-OH (alcohol) HO-AC (phenol) CH3-CO-(C) -CH2-CO-(C) O=CH- (aldehyde) CH3-COO-(C) (ester) -CH2-COO-(C) (ester) HCOO-(C) (formate) CH3-O-(C) (nonring) -CH2-O-(C) (nonring) >CH-O-(C) (nonring) -CH2-O-(C) (ring) -COOH (acid) -COO- (ester) -OC2H3OH-O(CH2)2OH

1200 1350 1405 1400 1450 1505 1500 1550 1615 1610 1605 1600 1955 3300 3605 3600

Nitrogen Increments

-CH2-NH2 >CH-NH2 CH3-NH-CH2-NH>CH-NHCH3-N< -CH2-N< NH2-AC (benzene ring) C5H4N- (pyridine ring) C5H3N< (pyridine ring) -CH2-C#N (nitrile) -CH2-NO2 >CH-NO2 NO2-AC (benzene ring) -CONH2 -CONHCH3 -CONHCH2-CON(CH3)2 -CONCH3CH2-CON(CH2)2< HCON(CH2)2

Physical Property Data 11.1

1655 1650 1710 1705 1700 1755 1750 1800 1855 1850 1900 2255 2250 2300 3550 3555 3560 3565 3570 3575 4996

Group Contribution Method Functional Groups • 3-37

Functional Group

Group Number

Halogen Increments

-CH2-CL >CH-CL ->C-CL -CHC-CL2 -CCL3 CL-AC (benzene ring) -I -BR CL-(C=C) F-AC (benzene ring) -CF3 >CF2 >CCHS-C4H3S >C4H2S

2400 3650 3655 3660 3755 3760

Second-Order Groups Corrections

Functional Group

Group Number

Nonring Corrections

(CH3)2CH(CH3)3C-CH(CH3)CH(CH3)-CH(CH3)C(CH3)< -C(CH3)2C(CH3)2CH3CH3 >C=C-C=C< -CH=C-C=C< CH2=C-C=C

3-38 • Group Contribution Method Functional Groups

5000 5005 5010 5015 5020 5050 5090 5095 5100

Physical Property Data 11.1

Functional Group

Group Number

Nonring Corrections

C=CH-C=C CH=CH-C=C CH2=CH-C=C CH=C-C=CH CH=C-C=CH2 CH2=C-C=CH2 CH2=CH-C=CH2 CH2=CH-C=CH CH2=CH-CH=CH2 CH3-C=C CH3-CH=C CH3-CH=CH CH3-CH=CH2 CH3-C=CH CH3-C=CH2 CH2-C=C CH2-CH=C CH2-CH=CH CH2-CH=CH2 CH2-C=CH CH2-C=CH2 CH-C=C CH-CH=C CH-CH=CH CH-CH=CH2 CH-C=CH CH-C=CH2 C-C=C C-CH=C C-C=CH C-C=CH2 C-CH=CH C-CH=CH2 c-C-CMH2:(M>1)

Physical Property Data 11.1

5105 5110 5115 5120 5125 5130 5135 5140 5145 5150 5155 5160 5165 5170 5175 5180 5185 5190 5195 5200 5205 5210 5215 5220 5225 5230 5235 5240 5245 5250 5255 5260 5265 5310

Group Contribution Method Functional Groups • 3-39

Functional Group

Group Number

Ring Corrections

3-Member 4-Member 5-Member 6-Member 7-Member

5025 5030 5035 5040 5045

Oxygen Corrections

CHCHO CCHO CH3COCH2 CH3COCH CH3COC c-C=O ACCHO (benzene ring) CHCOOH CCOOH ACCOOH (benzene ring) CH3COOCH CH3COOCCH2 >CH>C< =CH2

3-42 • Group Contribution Method Functional Groups

100 101 102 103 104

Physical Property Data 11.1

Functional Group

Group Number

Nonring Increments

=CH=C< =C= ≡CH ≡C-

105 106 107 108 109

Ring Increments

>CH2 >CH>C< =CH=C
C=O (nonring) >C=O (ring) O=CH- (aldehyde) -COOH (acid) -COO- (ester) =O (except as above)

119 120 121 122 123 124 125 126 127 128

Nitrogen Increments

-NH2 >NH (nonring >NH (ring) >N- (nonring) -CN -NO2 -N= (nonring) -N= (ring) =NH

Physical Property Data 11.1

16

129 130 131 132 133 134 135 136 137

Group Contribution Method Functional Groups • 3-43

Functional Group

Group Number

Sulfur Increments

Table 3.6 Le Bas Method Functional Groups

-SH -S- (nonring) -S- (ring)

138 139 140

Functional Group

Group Number

Carbon Hydrogen Oxygen (except as follows) In methyl esters and ethers In ethyl esters and ethers In higher esters and ethers In acids Joined to S, or N =NH, =N-NH2 >NH -F -CL -BR -I S

100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115

Corrections for Ring Compounds

Table 3.6A Li-Ma Method Functional Groups

3-Member 4-Member 5-Member 6-Member Naphthalene Anthracene

116 117 118 119 120 121

Functional Group

Group Number

Sulfur Increments

>SO4 >SO3 -SO2CL -CSO>S=O -N=C=S 3-44 • Group Contribution Method Functional Groups

100 101 102 103 104 105

Physical Property Data 11.1

Functional Group

Group Number

Sulfur Increments

-S-S-S- (ring) -S- (connect benzene ring) -S- (connect ring) -S- (nonring) -SH (connect benzene ring) -SH (connect ring) -SH

106 107 108 109 110 111 112 113

Nitrogen Increments

-NO2 (connect benzene ring) -N=C=O (connect benzene ring) -NO3 -NO2 =N-OH >N-N=O -HN-CHO >N-CHO -CO-NH2 -CO-N< >N-OH -O-NH-NH-NH2 >N-NH2 -NH-NH>N-NH-C#N (connect ring) -C#N =N- (naphthalene ring) =N- (benzene ring) -NH- (ring) >N- (ring) -NH2 (connect benzene ring) -NH- (connect benzene ring) >N- (connect benzene ring) -NH2 (connect ring) -NH- (connect ring) -NH2 -NH-

Physical Property Data 11.1

114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142

Group Contribution Method Functional Groups • 3-45

Functional Group

Group Number

Nitrogen Increments

>N-

143

Oxygen Increments

-COOH (acid) -COO- (carbon atom connects benzene ring) -COO- (oxygen atom connects benzene ring) -COO- (carbon atom connects ring) -COO- (carbon atom connects ring) -COO- (ester) HCOO- (formate) >C=O (connect benzene ring) >C=O (ring) >C=O (nonring) -CHO (connect benzene ring) -CHO -O- (ring) -O- (connect benzene ring) -O- (nonring) -OH (connect naphthalene ring) -OH (connect benzene ring) -OH (connect ring) -OH

144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162

Halogen Increments

=CF- (benzene ring) =CCL- (benzene ring) =CBR- (benzene ring) =CI- (benzene ring) =CFCL =CF2 =CF=CCL2 =CCL=CHCL =CHBR -CF2- (ring) >CF- (ring) -CFH- (ring) -CHCL- (ring) -CHBR- (ring)

3-46 • Group Contribution Method Functional Groups

165 166 167 168 175 176 177 178 179 180 181 188 189 190 191 192

Physical Property Data 11.1

Functional Group

Group Number

Halogen Increments

-CHI- (ring) -BR (connect naphthalene ring) -CF3 (connect benzene ring) -CF3 (connect ring) -CF2- (connect ring) -CF2CL -CFCL2 -CHFCL -CFCL-CF2BR -CHCLBR -CF3 -CF2>CF-CHF2 -CH2F -CCL3 >CCL-CHCL2 -CH2CL -CHCL>CBR-CHBR2 -CH2BR -CHBR>CI-CH2I -CHI-

193 197 198 199 200 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233

Nonring Increments

#CH #C=CH- (connect benzene ring) =CH- (connect ring) =C= =CH2 =CH=C< -CH3 (connect naphthalene ring)

Physical Property Data 11.1

163 164 182 183 184 185 186 187 201

Group Contribution Method Functional Groups • 3-47

Functional Group

Group Number

Nonring Increments

-CH2- (connect naphthalene ring) -CH3 (connect benzene ring) -CH2- (connect benzene ring) >CH- (connect benzene ring) >C< (connect benzene ring) -CH3 (connect ring) -CH2- (connect ring) >CH- (connect ring) >C< (connect ring) -CH3 -CH2>CH>C
CH- (ring) >C< (ring)

169 170 171 172 173 174 194 195 196

Functional Group

Group Number

Nonring Increments

-CH3 >CH2 >CH>C< =CH2 =CH=C< =C= ≡CH ≡C-

3-48 • Group Contribution Method Functional Groups

100 101 102 103 104 105 106 107 108 109

Physical Property Data 11.1

Functional Group

Group Number

Ring Increments

>CH2 >CH>CH 17 >C< =CH=C< =C=

110 111 112 113 114 115 116

Halogen Increments -

F-CL -BR -I

117 118 119 120

Oxygen Increments -

OH (alcohols) -OH (phenols) -O- (nonring) -O- (ring) >C=O (nonring) >C=O (ring) O=CH- (aldehyde) -COOH (acid) -COO- (ester) =O (except as above)

121 122 123 124 125 126 127 128 129 130

Nitrogen Increments

-NH2 >NH (nonring) >NH (ring) >N- (nonring) >N- (ring) -CN -NO2

131 132 133 134 135 136 137

Sulfur Increments

-SH -S- (nonring) -S- (ring) =S

Physical Property Data 11.1

138 139 140 141

Group Contribution Method Functional Groups • 3-49

Functional Group

Group Number

Other Increments

Table 3.7A Mostafa Method Functional Groups

>SI< 18 >B- 19 >SIH>SIH3 -SI-O-SI-O- (ring)

142 143 144 145 146 147

Cations

Group Number

Ac+3 Ag+1 Ag+2 Al+3 Am+3 Am+4 As+3 As+5 Au+1 Au+3 B+3 Ba+2 Be+2 Bi+3 Bi+5 C+4 Ca+2 Cd+2 Ce+3 Ce+4 Cl+1 Cm+3 Cm+4 Co+2 Co+3 Co+4 Cr+2 Cr+3 Cr+4 Cr+6

1001 1002 1003 1005 1007 1008 1011 1012 1017 1018 1019 1020 1022 1023 1024 1030 1031 1033 1034 1035 1039 1043 1044 1046 1047 1048 1050 1051 1052 1054

3-50 • Group Contribution Method Functional Groups

Physical Property Data 11.1

Physical Property Data 11.1

Cations

Group Number

Cs+1 Cu+1 Cu+2 Dy+2 Dy+3 Er+3 Eu+2 Eu+3 Fe+1 Fe+2 Fe+3 Fe+4 Fe+5 Fe+6 Ga+3 Gd+3 Ge+2 Ge+4 H+1 Hf+2 Hf+4 Hg+1 Hg+2 Ho+3 I+1 I+5 In+1 In+2 In+3 Ir+3 Ir+4 K+1 La+3 Li+1 Lu+3 Mg+2 Mn+2 Mn+3 Mn+4 Mn+5

1055 1056 1057 1059 1060 1061 1064 1065 1066 1067 1068 1069 1070 1071 1076 1077 1078 1079 1080 1082 1084 1085 1086 1087 1088 1089 1091 1092 1093 1095 1096 1098 1101 1102 1104 1108 1110 1111 1112 1113 Group Contribution Method Functional Groups • 3-51

Cations

Group Number

Mn+6 Mn+7 Mo+2 Mo+3 Mo+4 Mo+5 Mo+6 N+3 N+4 Na+1 Nb+3 Nb+4 Nb+5 Nd+2 Nd+3 NH4+1 Ni+2 Ni+3 Ni+4 Np+3 Np+4 Np+6 Os+3 Os+4 P+3 P+4 P+5 Pa+4 Pa+5 Pb+2 Pb+4 Pd+2 Pd+3 Pd+4 Po+2 Po+4 Pr+3 Pr+4 Pt+2 Pt+3

1114 1115 1117 1118 1119 1120 1121 1124 1125 1127 1130 1131 1132 1133 1134 1136 1138 1139 1140 1143 1144 1146 1149 1150 1154 1155 1156 1158 1159 1160 1161 1162 1163 1164 1166 1168 1170 1171 1172 1173

3-52 • Group Contribution Method Functional Groups

Physical Property Data 11.1

Physical Property Data 11.1

Cations

Group Number

Pt+4 Pu+3 Pu+4 Pu+6 Ra+2 Rb+1 Re+2 Re+4 Re+5 Re+6 Re+7 Rh+3 Ru+3 Ru+4 Ru+6 S+4 S+6 Sb+3 Sc+2 Sc+3 Se+4 Se+5 Se+6 Si+4 Sm+2 Sm+3 Sn+2 Sn+4 Sr+2 Sr+4 Ta+3 Ta+4 Ta+5 Tb+3 Tb+4 Tc+4 Tc+6 Tc+7 Te+4 Te+6

1174 1177 1178 1180 1182 1183 1185 1187 1188 1189 1190 1194 1199 1200 1202 1205 1206 1207 1209 1210 1211 1212 1213 1215 1216 1217 1218 1219 1220 1221 1223 1224 1225 1226 1227 1231 1233 1234 1235 1236 Group Contribution Method Functional Groups • 3-53

Cations

Group Number

Th+4 Ti+2 Ti+3 Ti+4 Tl+1 Tl+3 Tm+2 Tm+3 U+3 U+4 U+5 U+6 V+2 V+3 V+4 V+5 W+2 W+4 W+5 W+6 Y+3 Yb+2 Yb+3 Zn+2 Zr+2 Zr+3 Zr+4 Br+1 Co+6 Ho+2 Pd+1 Pt+1 Y+2 B+5 Gd+2 F+1 Ce+2 La+2 Pr+2 Pu+2

1238 1239 1240 1241 1242 1243 1244 1245 1246 1247 1248 1249 1251 1252 1253 1254 1256 1258 1259 1260 1264 1265 1266 1267 1268 1269 1270 1271 1272 1274 1275 1276 1277 1278 1279 1280 1281 1282 1283 1284

3-54 • Group Contribution Method Functional Groups

Physical Property Data 11.1

Physical Property Data 11.1

Cations

Group Number

Th+2 Er+2 CH2+2

1286 1287 1727

Anions

Group Number

As-3 Br-1 C-4 Cl-1 F-1 I-1 N-3 O-1 O-2 P-3 Re-1 S-2 Sb-3 Se-2 Te-2 H-1 Si-4 BrO3-1 BrO4-1 CO3-2 HCO3-1 ClO2-1 ClO3-1 ClO4-1 IO3-1 IO4-1 IO6-5 NO2-1 NO3-1 OH-1 PO2-1 PO3-1 PO4-3 PO3-3 P2O7-4

1301 1303 1304 1305 1309 1311 1315 1317 1318 1319 1321 1323 1324 1325 1327 1330 1334 1601 1602 1603 1604 1605 1606 1607 1608 1609 1610 1611 1612 1613 1614 1615 1617 1616 1618 Group Contribution Method Functional Groups • 3-55

Table 3.8 OgataTsuchida Method Functional Groups

Anions

Group Number

H2PO2-1 SO3-2 SO4-2 S2O3-2 S2O8-2 S2O7-2 S2O6-2 S2O5-2 S2O4-2 S3O6-2 S4O6-2 N2O2-2 S5O6-2 N2O3-2 HOCHOHCOO-1 NH2CH2COO-1 CONH2COO-1 C2H3O2N2-1 ClCHCHCl-2 CH2OHCOO-1 CCl3COO-1 OCH2COO-2 OCH2CH2-2

1619 1627 1628 1629 1633 1634 1635 1636 1637 1638 1639 1641 1640 1642 1701 1702 1703 1704 1705 1706 1707 1708 1709

Functional Group Group Number Radical, R, showing deviations > 5K

RH 20 RCL RBR RI

100 101 102 103

Me, t-Bu

ROH MeOR EtOR ROR PhOR RONO2

104 105 106 107 108 109

Me, t-Bu Me

RSH RSMe

110 111

3-56 • Group Contribution Method Functional Groups

Me, Hep

Me

Physical Property Data 11.1

Functional Group Group Number Radical, R, showing deviations > 5K

Physical Property Data 11.1

RSET RSR

112 113

Me, Hep

RNH2 RNHMe RNHEt RNHPr RNMe2 RNO2

114 115 116 117 118 119

Me Me, Et

HCOR MeCOR EtCOR

120 121 122

RCN RCOCL HCOOR MeCOOR EtCOOR PhCOOR RCOOH RCOOMe RCOOEt RCOOPr RCOOPh (RCO)20 CLCH2COOR 20 CL2CHCOOR BRCH2COOR NCCH2COOR CH2=CHCOOR

123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139

Radical Type

Group Number Radical, R, showing deviations > 5K

METHYL ETHYL N-PROPYL ISOPROPYL N-BUTYL

140 141 142 143 144

SEC-BUTYL

145

Hep

Group Contribution Method Functional Groups • 3-57

Table 3.9 OrrickErbar Method Functional Groups

Radical Type

Group Number Radical, R, showing deviations > 5K

ISOBUTYL T-BUTYL N-AMYL ISOAMYL

146 147 148 149

T-AMYL NEOPENTYL N-HEXYL ISOHEXYL N-HEPTYL

150 151 152 153 154

N-OCTYL VINYL ALLYL 2-BUTENYL PHENYL

155 156 157 158 159

Functional Group

Group Number

C

100

Special Corrections

-C(R)3 C(R)4 Double bond (nonaromatic) 5-Member ring 6-Member ring Aromatic ring Ortho substitution Meta substitution Para substitution -CL -BR -I -OH -COO- (ester) -O>C=O -COOH (acid)

3-58 • Group Contribution Method Functional Groups

101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117

Physical Property Data 11.1

Table 3.10 Parachor Method Functional Groups

Functional Group

Group Number

Carbon Increments

-CH3 >CH2 >CH>C< =CH2 =CH=C< =C= ≡CH ≡C-

100 101 102 103 104 105 106 107 108 109

Halogen Increments -

F -CL -BR -I

110 111 112 113

Oxygen Increments

-OH (alcohol) -OO=CH- (aldehyde) -COOH (acid) -COO- (ester) =O (except as above)

114 115 116 117 118 119

Nitrogen and Sulfur Increments

-NH2 >NH >N-CN -NO2 (nitrite) S

120 121 122 123 124 125

Alkyl Groups

CH3-CH(CH3)CH3-CH2-CH(CH3)CH3-CH2CH2-CH(CH3)CH3-CH(CH3)-CH2CH3-CH2-CH(C2H5)CH3-C(CH3)2CH3-CH2-C(CH3)2-

Physical Property Data 11.1

126 127 128 129 130 131 132

Group Contribution Method Functional Groups • 3-59

Functional Group

Group Number

Alkyl Groups

CH3CH(CH3)-CH(CH3)CH3CH(CH3)-C(CH3)2C6H5-

133 134 135

Ketone Groups

R1-(C=O)-R2 for R1+R2=2 R1-(C=O)-R2 for R1+R2=3 R1-(C=O)-R2 for R1+R2=4 R1-(C=O)-R2 for R1+R2=5 R1-(C=O)-R2 for R1+R2=6 R1-(C=O)-R2 for R1+R2=7 -NO3 (nitrate) -CO(NH2) N (except as above)

136 137 138 139 140 141 142 143 144

Corrections for Ring Compounds

Table 3.11 Reichenberg Method Functional Groups

3-Member 4-Member 5-Member 6-Member

145 146 147 148

Functional Group

Group Number

Nonring Increments

-CH3 >CH2 >CH>C< =CH2 =CH=C< ºCH ºC-

100 101 102 103 104 105 106 107 108

Ring Increments

>CH2 >CH>C< =CH=C
C=O (nonring) O=CH- (aldehyde) -COOH (acid) -COO- (ester)

117 118 119 120 121 122

Nitrogen Increments

-NH2 >NH (nonring) -N= (ring) -CN

123 124 125 126

Other Increments

Table 3.11A Ruzicka Method Functional Groups

-S- (ring) HCOO- (formates)

127 128

Functional Group

Group Number

Hydrocarbon Groups

C-(C)(H)3 C-(C)2(H)2 C-(C)3(H) C-(C)4 CD-(H)2 CD-(C)(H) CD-(C)2 CD-(CD)(H) CD-(CD)(C) CD-(CB)(H) CD-(CB)(C) C-(CD)(H)3 C-(CD)2(H)2 C-(CD)(C)3 C-(CD)(C)(H)2

Physical Property Data 11.1

100 101 102 103 104 105 106 107 108 110 111 115 116 118 119

Group Contribution Method Functional Groups • 3-61

Functional Group

Group Number

Hydrocarbon Groups

C-(CD)(C)2(H) C-(CT)(H)3 C-(CT)(C)(H)2 C-(CB)(CD)(H)2 C-(CB)(H)3 C-(CB)(C)(H)2 C-(CB)(C)2(H) C-(CB)(C)3 C-(CB)2(H)2 C-(CB)3(H) C-(CB)(N)(H)2 CT-(H) CT-(C) CT-(CB) CB-(H) CB-(C) CB-(CD) CB-(CT) CB-(CB) CA CBF-(CB)2(CBF) CBF-(CB)(CBF)2 CBF-(CBF)3

120 122 123 124 125 126 127 128 129 130 131 132 133 135 136 137 138 139 140 141 142 143 144

Corrections for Ring Compounds

Cyclopropane Cyclobutane Cyclopentane Cyclopentene Cyclohexane Cyclohexene Cycloheptane Cyclooctane Cylcopentane with subtituting groups Spiropentane Indene Cyclooctatetraene Cyclooctadiene Cyclooctene

3-62 • Group Contribution Method Functional Groups

149 151 153 154 156 157 158 159 500 501 502 503 504 505

Physical Property Data 11.1

Functional Group

Group Number

Corrections for Ring Compounds

Cycloheptatriene Cycloheptene Cyclohexadiene Indan Tetralin Hexadecahydropyrene Tetradecahydrophonanthrene Dodecahydrofluorene Decahydronaphthalene Hexahydroindan

506 507 508 509 510 511 512 513 514 515

Oxygen-Containing Compounds

CO-(CO)(O) CO-(O)(CD) CO-(O)(CB) CO-(O)(C) CO-(O)(H) CO-(CD)(H) CO-(CD)(C) CO-(CB)(C) CO-(CB)(H) CO-(C)2 CO-(C)(H) O-(CO)(C) O-(CO)(H) O-(CB)2 O-(CB)(C) O-(CB)(H) O-(C)2 O-(C)(H) CD-(CO)(C) CD-(CO)(H) CB-(CO) CB-(O) C-(CO)(C)2(H) C-(CO)(C)(H)2 C-(CO)(C)3 C-(CO)(H)3 C-(O)2(C)2

Physical Property Data 11.1

162 163 164 165 166 167 168 169 170 171 172 178 179 185 186 187 188 189 191 192 196 197 199 200 201 202 203

Group Contribution Method Functional Groups • 3-63

Functional Group

Group Number

Oxygen-Containing Compounds

C-(C)2(O)(H) (ester) C-(O)2(H)2 C-(O)(CB)(H)2 C-(O)(C)3 (ester,ether) C-(O)(CD)(H)2 C-(O)(C)3 (alcohol) C-(O)(C)2(H) (alcohol) C-(O)(C)(H)2 C-(O)(H)3

204 205 206 207 208 209 210 211 212

Strain and Ring Corrections for OxygenContaining Compounds

Ethylene Oxide Trimethylene Oxide Tetrahydrofuran Tetrahydropyran 1,3-Dioxane Furan Glycols Diphenol

215 216 217 218 219 222 516 517

Nitrogen-Containing Compounds

C-(N)(H)3 C-(N)(C)(H)2 C-(N)(C)2(H) C-(N)(C)3 N-(C)(H)2 N-(C)2(H) N-(C)3 N-(N)(H)2 N-(N)(C)(H) N-(N)(C)2 N-(N)(CB)(H) N-(CD)2(H) (ring) NI-(CB) N-(CB)(H)2 N-(CB)(C)(H) N-(CB)(C)2 N-(CB)2(C) CB-(N)

3-64 • Group Contribution Method Functional Groups

229 230 231 232 233 234 235 236 237 238 239 241 242 245 246 247 248 249

Physical Property Data 11.1

Functional Group

Group Number

Nitrogen-Containing Compounds

C-(CN)(C)(H)2 C-(CN)(C)3 CD-(CN)(H) CB-(CN) C-(NO2)(C)(H)2 O-(NO2)(C) CD-(H)(N) CB-(NO2)

260 262 264 268 270 275 348 372

Ring Corrections for Nitrogen-Containing Compounds

Pyrrole Ethyleneimine Pyrrolidine Piperdine

109 276 278 279

Halogen Groups

C-(F)3(C) C-(F)2(BR)(C) C-(F)(CL)2(C) C-(F)2(C)2 C-(F)2(CL)(C) C-(CL)3(C) C-(CL)2(H)(C) C-(CL)(H)2(C) C-(CL)(H)(C)2 C-(BR)(H)2(C) C-(BR)(H)(C)2 C-(I)(H)2(C) CD-(F)2 CD-(CL)2 CD-(F)(CL) CD-(H)(CL) CB-(F) CB-(CL) CB-(BR) CB-(I) C-(CB)(F)3 C-(CB)(CL)(H)2 C-(CD)(CL)(H)2

Physical Property Data 11.1

281 282 283 284 287 288 289 290 292 295 296 298 308 309 311 318 325 326 327 328 329 330 331

Group Contribution Method Functional Groups • 3-65

Functional Group

Group Number

Organosulfur Groups

C-(H)3(S) C-(C)(H)2(S) C-(C)2(H)(S) C-(C)3(S) CB-(S) CD-(H)(S) S-(C)(H) S-(CB)(H) S-(C)2 S-(CB)2 S-(S)(C) S-(S)(CB) S-(CD)2 (ring)

340 341 342 343 346 347 349 350 351 355 356 357 358

Ring Corrections for Sulfur-Containing Compounds

Trimethylene Sulfide Tetrahydrothiophene Thiacyclohexane Thiophene

3-66 • Group Contribution Method Functional Groups

393 394 395 399

Physical Property Data 11.1

UNIFAC Functional Groups Tables 3.12 and 3.13 list the UNIFAC groups built into the Aspen Physical Property System. The group number and an example of group usage is provided for each group listed. Values of the van der Waals area and volume parameters (GMUFQ and GMUFR) are built in for all groups. The AC symbol in Table 3.12 denotes a carbon atom in an aromatic ring. The symbol FCH 2 O denotes the CH2 - O group in a furan ring. An X in the L-L column of Table 3.12 indicates liquid-liquid group interaction parameters are available. A dash (–) indicates parameters are not available. An X in the LBY column of Table 3.12 indicates that the functional group has been defined for the Lyngby modified UNIFAC model. A dash (–) indicates that the group cannot be used for this model. The DMD column is for the Dortmund modified UNIFAC model. Table 3.13 lists six groups with liquid-liquid parameters, but no vapor-liquid parameters. The propanols are a special case. For the vapor-liquid option sets such as UNIFAC and UNIF-HOC, propanol is described by three CHn groups and one OH group. For UNIF-LL, 1-propanol is described by the independent propanol group P1, and 2-propanol is described by the independent propanol group P2.

Physical Property Data 11.1

Group Contribution Method Functional Groups • 3-67

Table 3.12 UNIFAC Method Functional Groups Main Group

Group

V-L L-L

21

LBY DMD Group Example 22 Number Component

Example Component Constituent Groups

CHn

C

X

X

X

X

1000

4 CH3, 1 C

c-CHn

CH CH2 CH3 CH4 c-C 23

X X X X —

X X X — —

X X X X —

X X X X X

1005 1010 1015 1020 1025

c-CH

— — — X

1030

— — — X X — X X

1035 1050

CH=C CH2=C

X X

X X

X X

X X

1055 1060

CH=CH

X

X

X

X

1065

CH2=CH

X

X

X

X

1070

ACHn

CH2=CH2 AC 24

X X

— — — X X X

1075 1100

ACCHn

ACH ACCH

X X

X X

X X — X

1105 1150

ACCH2

X

X

— X

1155

OH

ACCH3 OH (P) 25

X X

X X

— X X X

1160 1200

CH3OH H2O ACOH CHnCO

OH (S) OH (T) — — — CH2CO

— — X X X X

— — — X X X

— — X X — X

1210 1220 1250 1300 1350 1400

c-CH2 CHm=CHn C=C

X X X X X X

3-68 • Group Contribution Method Functional Groups

2,2Dimethylpropane 2-Methylpropane Hexane Hexane Methane 1,1 - dimethyl cyclohexane methylcyclohexane

3 CH3, 1 CH 2 CH3, 4 CH2 2 CH3, 4 CH2 1 CH4 2 CH3, 5 c-CH2; 1 c-C 1 CH3, 5 c-CH2, 1 cCH 6 c-CH2 4 CH3, 1 C=C

cyclohexane 2,3 Dimethylbutene-2 2-Methyl-2-butene 3 CH3, 1 CH=C 2-Methyl-1-butene 2 CH3, 1 CH2, 1 CH2=C 2-Hexene 2 CH3, 2 CH2, 1 CH=CH 1-Hexene 1 CH3, 3 CH2, 1 CH2=CH Ethylene 1 CH2=CH2 Styrene 1 CH2=CH, 5 ACH, 1 AC Benzene 6 ACH Cumene 2 CH3, 5 ACH, 1 ACCH Ethylbenzene 1 CH3, 5 ACH, 1 ACCH2 Toluene 5 ACH, 1 ACCH3 1-Propanol 2 CH3, 1 CH2, 1 OH (P) 2-Propanol 2 CH3, 1 CH, 1 OH (S) tert-Butanol 3 CH3, 1C, 1 OH (T) Methanol 1 CH3OH Water 1 H2O Phenol 5 ACH, 1 ACOH 3-Pentanone 2 CH3, 1 CH2, 1 CH2CO

Physical Property Data 11.1

Main Group

Group

V-L L-L

21

LBY DMD Group Example 22 Number Component

Example Component Constituent Groups

CH3CO

X

X

X

X

1405

2-Butanone

CHO CH2COO

X X

X X

X X

X X

1450 1500

Acetaldelhyde Butyl propanoate

CH3COO

X

X

X

X

1505

Butyl acetate

HCOO



X

— — X

1550

Ethyl formate

CHnO

FCH2O 26 CHO CH2O CH3O c-CH2O CH2

X X X X —

X X X X —

— X X X X

1600 1605 1610 1615 1620

Tetrahydrofuran Diisopropyl ether Diethyl ether Dimethyl ether Tetrahydrofuran

— — — X

1625

1,3 - dioxane

1 CH3, 1 CH2, 1 CH3CO 1 CH3, 1 CHO 2 CH3, 3 CH2, 1 CH2COO 1 CH3, 3CH2, 1 CH3COO 1 CH3, 1 CH2, 1 HCOO 3 CH2, 1 FCH2O 4 CH3, 1 CH, 1 CHO 2 CH3, 1 CH2, 1 CH2O 1 CH3, 1 CH3O 2 c-CH2, 1 cCH2OCH2 1 c-CH2, 2 cCH2O(CH2)1/2 3 c-(CH2)1/2O(CH2)1/2

CHO CHnCOO

c-CHnO

CHnNH2

NH2 CHnNH

ChnN ACNH2 C5HnN

CHnCN CHnOOH

23

X X X X —

c-CH2O (CH2)1/2 c-(CH2)1/2 O(CH2)1/2 CHNH2 CH2NH2

— — — X

1630

1,3,5 - trioxane

X X

— — X — — X

1650 1655

Isopropylamine Propylamine

CH3NH2 CNH2 NH2 CHNH CH2NH

X X — X X

— — — — —

— — X X X

X X — X X

1660 1670 1680 1700 1705

Methylamine tert-butylamine Isopropylamine Diisopropylamine Diethylamine

CH3NH CH2N CH3N — C5H3N

X X X X X

— — — X X

X X X X X

X X X X X

1710 1750 1755 1800 1850

C5H4N C5H5N CH2CN CH3CN HCOOH COOH

X X X X X X

X X X X X X

X X X X — X

X X X X X X

1855 1860 1900 1905 1950 1955

Dimethylamine Triethylamine Trimethylamine Aniline 2,3Dimethylpyridine 3-Methylpyridine Pyridine Propionitrile Acetonitrile Formic acid Acetic acid

Physical Property Data 11.1

2 CH3, 1 CHNH 1 CH3, 1 CH2, 1 CH2NH2 1 CH3NH2 3 CH3, 1 CNH2 2 CH3, 1 CH, 1 NH2 4 CH3, 1 CH, 1 CHNH 2 CH3, 1 CH2, 1 CH2NH 1 CH3, 1 CH3NH 3 CH3, 2 CH2, 1 CH2N 2 CH3, 1 CH3N 5 ACH, 1 ACNH2 2 CH3, 1 C5H3N 1 CH3, 1 C5H4N 1 C5H5N 1 CH3, 1 CH2CN 1 CH3CN 1 HCOOH 1 CH3, 1 COOH

Group Contribution Method Functional Groups • 3-69

Main Group

Group

V-L L-L

21

LBY DMD Group Example 22 Number Component

Example Component Constituent Groups

CHnCl

CCl

X

X

X

X

2000

3 CH3, 1 CCl

CHCl CH2Cl

X X

X X

X X

X X

2005 2010

CCl2 CHCl2 CH2Cl2 CCl3

X X X X

X X X X

X X X X

X X X X

2050 2055 2060 2100

CHCl3 — — CHNO2 CH2NO2

X X X X X

X X X X X

X X — — —

X X X X X

2105 2150 2200 2250 2255

X X X X X X X X X X X X X X X X X

X X — — — X X — — — — — X — — — —

— — — — — — — — — — — — — — — — —

X X X X X X X X X X X — X X X X X

2260 2300 2350 2400 2405 2450 2500 2550 2600 2650 2655 2660 2700 2750 2800 2850 2900

X X

— — X — — X

2905 2950

X X

— — X — — X

2955 2960

CHnCl2

CHnCl3

CCl4 ACCl CHnNO2

CH3NO2 ACNO2 — CS2 — CHnSH CH2SH CH3SH Furfural — (CH2OH)2 (CH2OH)2 I — Br — CHn≡C C≡C CH≡C CH≡CH DMSO (CH3)2SO Acrylonitrile— Cl(C=C) — ACF — Dimethyl- DMF-1 formamide (DMF) DMF-2 CFn CF CF2 CF3

3-70 • Group Contribution Method Functional Groups

2-Chloro-2methylpropane 2-Chloropropane 1-Chlorobutane

2 CH3, 1 CHCl 1 CH3, 2 CH2, 1 CH2Cl 2,2-Dichloropropane 2 CH3, 1 Ccl2 1,1-Dichloroethane 1 CH3, 1 CHCl2 Dichloromethane 1 CH2Cl2 1,1,11 CH3, 1 CCl3 Trichloroethane Chloroform 1 CHCl3 Tetrachloromethane 1 CCl4 Chlorobenzene 5 ACH, 1 ACCl 2-Nitropropane 2 CH3, 1 CHNO2 1-Nitropropane 1 CH3, 1 CH2, 1 CH2NO2 Nitromethane 1 CH3NO2 Nitrobenzene 5 ACH, 1 ACNO2 Carbon-disulfide 1 CS2 Ethanethiol 1 CH3, 1 CH2SH Methanethiol 1 CH3SH Furfural 1 Furfural 1,2-Ethanediol 1 (CH2OH)2 1-Iodoethane 1 CH3, 1 CH2, 1 I 1-Bromoethane 1 CH3, 1 CH2, 1 Br 2-Hexyne 2 CH3, 2 CH2, 1 C≡C 1-Hexyne 1 CH3, 3 CH2, 1 CH≡C Acetylene 1 CH≡CH Dimethyl-Sulfoxide 1 DMSO Acrylonitrile 1 Acrylonitrile Trichloroethylene 1 CH=C, 3 Cl(C=C) Hexafluorobenzene 6 ACF Dimethylformamide 1 DMF-12 CH3, 1 DMF-2 Diethylformamide Perfluormethylcyclohexane Perfluorohexane Perfluorohexane

1 CH3, 5 CH2, 1 CF 2 CF3, 4 CF2 2 CF3, 4 CF2

Physical Property Data 11.1

Main Group

Group

V-L L-L

COO SiH2

COO Si

X X

— — X — — —

3300 3350

SiH

X

— — —

3355

SiH2 SiH3 SiO

X X X

— — — — — — — — —

3360 3365 3400

SiHO

X

— — —

3405

SiH2O

X

— — —

3410

NMP

NMP

X

— — —

3450

CClF

CCl3F

X

— — —

3500

CCl2F

X

— — —

3505

HCCl2F

X

— — —

3510

HCClF

X

— — —

3515

CClF2

X

— — —

3520

HCClF2

X

— — —

3525

CClF3

X

— — —

3530

CCl2F2

X

— — —

3535

CONH2 CONHCH3 CONHCH2 CON(CH3)2

X X X X

— — — —

— — — —

3550 3555 3560 3565

CONCH3CH2

X

— — —

3570

CON(CH2)2

X

— — —

3575

C2H5O2

X

— — —

3600

SiO

CON

OCCOH

Physical Property Data 11.1

LBY DMD Group Example 22 Number Component

21

— — — —

Dimethyl oxalate Hexamethyl disiloxane Heptamethyl trisiloxane Diethylsilane Methylsilane Octamethyl cyclotetrasiloxane 1,1,3,3-Tetramethyl disiloxane 1,3Dimethyldisiloxane Nmethylpyrrolidone Trichloro fluoromethane Tetrachloro-1,2difluoroethane Dichloro fluoromethane 1-Chloro-1,2,2,2,tetrafluoroethane 1,2 Dichloro tetrafluoroethane Chloro difluoromethane Chloro trifluoromethane Dichloro difluoromethane Acetamid N-Methylacetamid N-Ethylacetamid N,NDimethylacetamid N,N-Methylethyl acetamid N,NDiethylacetamid 2-Ethoxyethanol

Example Component Constituent Groups

2 CH3, 2 COO 6 CH3, 1 SiO, 1 Si 7 CH3, 2 SiO, 1 SiH 2 CH3, 2 CH2, 1 SiH2 1 CH3, 1 SiH3 8 CH3, 4 SiO 4 CH3, 1 SiHO, 1 SiH 2 CH3, 1 SiH2O, 1 SiH2 1 NMP 1 CCl3F 2 CCl2F 1 HCCl2F 1 CF3, 1HCClF 2 HCClF2 1 HCCl2F 1 CClF3 1 CCl2F2 1 CH3, 1 CONH2 1 CH3, 1 CONHCH3 2 CH3, 1 CONHCH2 1 CH3, 1 CON(CH3)2 2 CH3, 1 CONCH3CH2 3 CH3, 1 CON(CH2)2 1 CH3, 1 CH2, 1 C2H5O2

Group Contribution Method Functional Groups • 3-71

Main Group

LBY DMD Group Example 22 Number Component

V-L L-L

C2H4O2

X

— — —

3605

CH3S CH2S CHS Morpholine MORPH Thiophene C4H4S C4H3S C4H2S

X X X X X X X

— — — — — — —

— — — — — — —

— — — — — — —

3650 3655 3660 3700 3750 3755 3760

NH3 27 H2 27 N2 27 O2 27 CO 27 CO2 27 H2S 27 AR 27 C2H6 28 C3H6 28 C3H8 28 C4H10 28

— — — — — — — — — — — —

— — — — — — — — — — — —

X X X X X X X X X X X X

X X X X X X X X — — — —

3800 3810 3820 3830 3840 3850 3860 3870 3880 3890 3900 3910

CH2S

NH3 H2 N2 O2 CO CO2 H2S AR C2H6 C3H6 C3H8 C4H10

Example Component Constituent Groups

21

Group

2-Ethoxy-1propanol Dimethylsulfide Diethylsulfide Diisopropylsulfide Morpholine Thiophene 2 - Methylthiophene 2,3 Dimethylthiophene Ammonia Hydrogen Nitrogen Oxygen Carbon monoxide Carbon dioxide Hydrogen sulfide Argon Ethane Propylene Propane n-Butane

2 CH3, 1 CH2, 1 C2H4O2 1 CH3, 1 CH3S 2 CH3, 1 CH2, 1 CH2S 4 CH3, 1 CH, 1 CHS 1 MORPH 1 C4H4S 1 CH3, 1 C4H3S 2 CH3, 1 C4H2S 1 NH3 1 H2 1 N2 1 O2 1 CO 1 CO2 1 H2S 1 AR 1 C2H6 1 C3H6 1 C3H8 1 C4H10

Table 3.13 Special UNIFAC Liquid-Liquid Functional Groups Main Group

Group

Group Number

P1 P2 DEOH TCE MFA TMS

P1 3000 P2 3050 (HOCH2CH2)2O3100 CCL2=CHCL 3150 HCONHCH3 3200 (CH2)4SO2 3250

Example Components

Example Component Constituent Groups

1-Propanol 1 2-Propanol 1 Diethylene glycol 1 Trichlorethylene 1 Methylformamide 1 Tetramethylene Sulfone 1 (Sulfolane)

3-72 • Group Contribution Method Functional Groups

P1 P2 HOCH2CH2)2O CCL2=CHCL HCONHCH3 (CH2)4SO2

Physical Property Data 11.1

From H. K. Hansen, P. Rasmussen, Aa. Fredenslund, M. Schiller, and J. Gmehling, Ind. Eng. Chem. Res.30 (10), (1991), p. 2352.

Table 3.14 VaporLiquid Systems UNIFAC Group Interaction Parameters C C H A H 3 H C 2 C O 2 O C H H O H O O

C H 2 C O O

C H 2 N H 2

A C C L

C H 2 N O 2

D M S O

C L ( C = A D C C C M F ) F F 2

CH2 C=C ACH ACCH2 OH

X X X X X X X X X X

CH3OH H2O ACOH CH2CO CHO

X X X X X

X X X X X

X X X X X

X X X X X

X X X X X

X X X X X X X X X X

CH2COO HCOO CH2O CH2NH2 CH2NH

X X X X X

X X X X X

X X X X X

X X X X X

X X X X X

X X X X X

X X X X

X X -

X X X X

X X X -

X X X - - X X - X X

CH2N ACNH2 C5H4N CH2CN COOH

X X X X X

X X X X X

X X X X X

X X X X X

X X X X X

X X X X X

X X X X X

X X X

X X X X X

X

X X X X

X X X

X X X X

X X X -

X X -

- X - X X - X X -

CCL CCL2 CCL3 CCL4 ACCL

X X X X X

X X X X X

X X X X X

X X X X X

X X X X X

X X X X X

X X X X X

X X

X X X X X

X X X -

X X X X X

X X X

X X X X X

X X X

X X

X X X X

X X X X

X X X -

X X X X X

X X X X X

X X X X X X X X X X

CH2NO2 ACNO2 CS2 CH2SH FURFURAL

X X X X X

X X X

X X X X X

X X X X X

X X X X X

X X X -

X X X X

X -

X X X X X

-

X X X

X -

X X X X

X -

-

-

X -

X -

X X X -

X

X X X X -

X -

X X

X X X X

X X -

X X - - - - - -

(CH2OH)2 I BR CH#C DMSO

X X X X X

X X X

X X X X

X X X X

X X X X X

X X X X

X X

X -

X X X X X

X -

X X X X

-

X X X X

-

-

X

X -

X -

X X X -

X X X

X -

X X X

X X

X X X

X -

X X X X -

X X -

X -

X

-

- - - X - X -

ACRYLONI CL(C=C) ACF DMF CF2

X X X X X

X X X X X

X X X X X

X X X X -

X X X X -

X X X X -

X X -

-

X X -

X X X -

X X X -

X X -

X X X -

X -

X -

X X -

X -

X X -

X X X -

X X -

X -

X -

X -

X X X X -

-

X X -

-

X -

X -

-

X -

-

-

X X -

X -

X - X X - - X X

COO SIH2 SIO NMP CCLF

X X X X X

X X -

X X X X X

X X -

X X X X

X X

X X X -

X X -

X X -

X -

X -

X -

X X -

X X -

X X X -

-

X -

-

X -

X -

X -

X -

X X -

X X -

X X -

X X

-

X -

X -

X -

X X -

X -

X -

-

X -

X -

X X -

-

X -

X

- X - - - - - -

CON OCCOH CH4S MORPHOLI THIOPHEN

X X X X X

X X X X -

X X X

X X X

X X X X

X X X

X X X -

X

X X

-

X -

-

-

-

-

-

-

X

X -

X -

-

X -

X -

X X X

X -

X

-

-

X -

-

X -

-

-

-

-

-

X -

-

-

-

X -

Physical Property Data 11.1

C O O H

C C C C L L 2

C C L 3

C C L 4

A C C H N C 2 O S S 2 2 H

A C R Y L O N I

MAIN GROUP

C H 2 O

A C C C C 5 H H N H 2 2 H 4 C N 2 N N

( C H 2 O C H H ) B # 2 I R C

A C C C A C H = C H O 2 C H 2 H

H C O O

C H 2 N H

F U R F U R A L

S C C I S N C O H I M L O 2 O P F

-

-

-

-

O C C C O O N H

C H 4 S

M O R P H O L I

T H I O P H E N

- - - - - - -

Group Contribution Method Functional Groups • 3-73

From T. Magnussen, P. Rasmussen, and Aa. Fredenslund, Ind. Eng. Chem.Process Des. Dev. 20, (1980), pp. 331–339.

Table 3.15 LiquidLiquid Systems UNIFAC Group Interaction Parameters

F U R F U R A L

( C H 2 O H ) 2

MAIN GROUP

C H * = C C H H * *

CH* CH*=CH* ACH* ACCH* H

X X X X X X X X X X

H2O ACOH CH*CO CHO CH*COO

X X X X X

X X X X

X X X X X

X X X X X

X X X X X

X X X X - X X X X X

CH*O ACNH2 C5H*N CH*CN CH*OOH

X X X X X

X X X

X X X X X

X X X X X

X X X X X

X X X X X

X X -

X X X X

X

X X X

- X - - X X X - -

CH*CL CH*CL2 CH*CL3 CCL4 ACCL

X X X X X

X X X X -

X X X X

X X X X

X X X X X

X X X X X

X -

X X X X X

X -

X X X X

X X X X -

X X -

X X

X X X

X X X X X

X X X X X - - - X

CH*NO2 ACNO2 FURFURAL (CH2OH)2 DMSO

X X X X X

X X

X X X X X

X X X X X

X X X X -

X X X X -

X X -

X X X X -

X -

X X -

X -

X X -

X -

-

X X X -

- - - X X - - - X - X X X - - - - X - - - - -

- X X X - - - -

DMF P1 P2 DEOH TCE

X X X X X

X X X -

X X X X -

X X X -

X X X X

X X X X

X X -

X X X

X X -

X X -

X X -

-

-

-

X X X

X X -

X X -

MFA TMS

X X X - X X X X -

A C H *

A C C H O * H

A H C 2 O O H

C C H H * * C C C H O O O O

X - - - X - - - -

C H * O

A C N H 2

C 5 H * N

C H * C N

C H * O O H

C H * C L

- - - - - - - - -

C H * C L 2

X X -

C H * C L 3

X X -

C C L 4

X X -

A C C L

-

- - - - - - - - -

3-74 • Group Contribution Method Functional Groups

C H * N O 2

A C N O 2

-

X X X X

-

D M S O

-

- - - - - - - - -

D D E T M P P O C F 1 2 H E

M T F M A S

- X - - - - - - - - - - - - - -

-

Physical Property Data 11.1

From B. L. Larsen, P. Rasmussen, and Aa. Fredenslund, Ind. Eng. Chem. Res. 26, (1987), p. 2274.

Table 3.16 Group Interaction Parameters for Lyngby Modified UNIFAC

C C H A H 3 H C 2 C O 2 O C H H O H O O

C H 2 C O O

C H 2 N N H H 2 2

MAIN GROUP

A C C C A C H = C H O 2 C H 2 H

CH2 C=C ACH ACCH2 OH

X X X X X X X X X X

CH3OH H2O ACOH CH2CO CHO

X X X X X

X X X X X

X X X X X

X X X X X

X X X X X

X X X X X X X - X X

CH2COO HCOO CH2O CH2NH2 NH2

X X X X X

X X X X X

X X X X X

X X X X X

X X X X X

X X X X X

X X X X X

X X X X X

X X X X -

X X X X -

X X X X X X - X - X

CH2NH CH2N ACNH2 C5H4N CH2CN

X X X X X

X X X

X X X X X

X X X X X

X X X X X

X X X X X

X X X X X

X X X X X

X X X

-

X X

X X X X X

X -

X X X X X

X X -

X - X - - - X X

COOH CCL CCL2 CCL3 CCL4

X X X X X

X X X X X

X X X X X

X X X X X

X X X X X

X X X X X

X X X X X

X X X X X

X X X X X

X -

X X X X

X X X X X

X X X X X

X X X X X

X X

X

Physical Property Data 11.1

H C O O

C H 2 O

C H 2 N H

C H 2 N

X X X

A C N H 2

X

C 5 H 4 N

X X X

C H 2 C N

C C C O C C C O C L L H L 2 3

X X

X X X X X X X X X X

C C L 4

Group Contribution Method Functional Groups • 3-75

From J. Gmehling, J. Li, and M. Schiller, Ind. Eng. Chem. Res. 32, (1993), pp. 178-193.

Table 3.17 Group Interaction Parameters for Dortmund Modified UNIFAC Model C C H A H 3 H C 2 C O 2 O C H H O H O O

C H 2 C O O

C H 2 N H 2

A C N H 2

C 5 H 4 N

C H 2 C N

A C C L

CH2 C=C ACH ACCH2 OH

X X X X X X X X X X

CH3OH H2O ACOH CH2CO CHO

X X X X X

X X X X X

X X X X X

X X X X X

X X X X X

X X X X X X X X - X

CH2COO HCOO CH2O CH2NH2 CH2NH

X X X X X

X X X X X

X X X X X

X X X X X

X X X X X

X X X X X

X X X X

X X -

X X X X

X X X -

X X - - X - - X

CH2N ACNH2 C5H4N CH2CN COOH

X X X X X

X X X X X

X X X X X

X X X X X

X X X X X

X X X X X

X X X X X

X X X

X X X X X

X

X X X X

X X -

X X X

X X -

X X -

- X - X X - - X -

CCL CCL2 CCL3 CCL4 ACCL

X X X X X

X X X X X

X X X X X

X X X X X

X X X X X

X X X X X

X X X X

X X

X X X X X

X X -

X X X X

X X

X X X X X

X X

X X

X X X

X X -

X -

X X X X

X X X X

X X X X X X X X - X

CH2NO2 ACNO2 CS2 CH3SH FURFURAL

X X X X X

X X X

X X X X X

X X X X

X X X

X X X X

X X

-

X X X X X

X X

X X X

X -

X X X X

X -

-

-

X -

-

X X X -

-

X X X X

X X

-

X X X X

X X -

X X - - - - - -

(CH2OH)2 I BR CH#C DMSO

X X X X X

X X X

X X X X

X X X X

X X X X X

X X X X

X X X

X -

X X X X X

X -

X X X X

-

X -

-

-

-

X -

X -

X X X -

X X -

X -

X X X

X -

X X X

X -

X X X -

-

X -

X

-

- X - - X - X -

ACRY CL(C=C) ACF DMF CF2

X X X X X

X X X X -

X X X -

X X X -

X X X X -

X X X X -

X X -

-

X X -

X X -

X X X -

X X -

X X -

X -

X -

X X -

X -

X X -

X X X -

X X -

X -

X -

X -

X X X X -

-

X X -

-

X -

X -

X -

X -

-

-

X -

X -

X - - - - - X -

COO CY-CH2 CY-CH2O HCOOH CHCL3

X X X X X

X X X X

X X X X X

X X X X X

X X X X

X X X X

X X X X X

X -

X X X X

X -

X X X X X

X X X

X X X X

X X -

X X -

X

X -

X X X

X X X X

X X X X

X X X X

X X X

-

X X X

X X X

X X -

X -

X X X

X -

X X -

-

X

X X X -

-

X

-

C O O H

C C C C L L 2

C C L 3

C C L 4

3-76 • Group Contribution Method Functional Groups

A C C H N C 3 O S S 2 2 H

C L ( C = A D C C C M F ) F F 2

MAIN GROUP

C H 2 O

C H 2 N

( C H 2 O C H H ) B # 2 I R C

A C C C A C H = C H O 2 C H 2 H

H C O O

C H 2 N H

C H 2 N O 2

F U R F U R A L

D M S O

A C R Y

X X X X

X X -

X X X -

X -

C Y C C O H O 2

C Y C H 2 O

H C O O H

C H C L 3

X - X - - - X X -

Physical Property Data 11.1

From E. A. Macedo, U. Weidlich, J. Gmehling, and P. Rasmussen, Ind. Eng. Chem. Process Des. Dev., 22, (1983), p. 676.

Table 3.18 Group Interaction Parameters for UNIFAC Model Revision 3 C C H A H 3 H C 2 C O 2 O C H H O H O O

C H 2 C O O

C H 2 N H 2

CH2 C=C ACH ACCH2 OH

X X X X X X X X X X

CH3OH H2O ACOH CH2CO CHO

X X X X X

X X X X -

X X X X -

X X X X -

X X X X X

X X X X X X X X - X

CH2COO HCOO CH2O CH2NH2 CH2NH

X X X X X

X X X X X

X X X X

X X X

X X X X X

X X X X X

X X X X

X -

X X -

X -

X X - - X - X X

CH2N ACNH2 C5H4N CH2CN COOH

X X X X X

X X X

X X X X X

X X X X X

X X X X X

X X X X X

X X X X X

X -

X X X X

-

X X

X

X

X -

X -

- - X X - - X -

CCL CCL2 CCL3 CCL4 ACCL

X X X X X

X X X X X

X X X X X

X X X X

X X X X X

X X X X X

X X X X X

X -

X X X X X

X -

X X X X

X -

X X X X -

X X

X X

X X X X

X X

X X X -

X X X

X X X X -

X X X X X X X - - X

CH2NO2 ACNO2 CS2 CH2SH FURFURAL

X X X X X

X X -

X X X X X

X X X X

X X X X X

X X X -

X X X X

-

X X X X

-

X X

X -

X X X -

X -

-

-

X -

-

X X -

-

X X -

-

X X

X X X X

X -

X - - - - - - -

(CH2OH)2 I BR CH#C DMSO

X X X X X

X X

X X X X

X X X

X X X X

X

X X

X -

X X X X

-

X X X

-

X X X X

-

-

-

X -

-

X -

-

X -

X X

X X

X X X

X -

X X X X -

-

-

X

-

- - - X X - - X

ACRYLONI CL(C=C) ACF DMF CF2

X X X X X

X X -

X X X -

X X -

X X X -

X X X -

X X -

-

X X -

-

X -

-

X X -

-

-

-

X -

-

X X -

X -

X -

-

X -

X X X -

-

X -

-

X -

X -

-

X -

COO

X X X X X

X X X X -

Physical Property Data 11.1

X X X - X

A C N H 2

C 5 H 4 N

C H 2 C N

A C C L

MAIN GROUP

C H 2 O

C H 2 N

C O O H

C C C C L L 2

- - - X X

C C L 3

C C L 4

- X X X X

A C C H N C 2 O S S 2 2 H

( C H 2 O C H H ) B # 2 I R C

A C C C A C H = C H O 2 C H 2 H

H C O O

C H 2 N H

C H 2 N O 2

F U R F U R A L

- - X - -

-

-

X -

D M S O

A C R Y L O N I

X -

- - - - - - -

- X - - X

C L ( C = A D C C C M F ) F F 2

C O O

X X - - -

Group Contribution Method Functional Groups • 3-77

From D. Tiegs, P. Rasmussen, J. Gmehling, and Aa. Fredenslund, Table 3.19 Group Interaction Parameter Ind. Eng. Chem. Res. 26, (1987), p. 159. for UNIFAC Model Revision 4

C C H A H 3 H C 2 C O 2 O C H H O H O O

C H 2 C O O

C H 2 N H 2

A C N H 2

C 5 H 4 N

C H 2 C N

A C C L

D M S O

C L ( C = A D C C C M F ) F F 2

CH2 C=C ACH ACCH2 OH

X X X X X X X X X X

CH3OH H2O ACOH CH2CO CHO

X X X X X

X X X X X

X X X X X

X X X X X

X X X X X

X X X X X X X X - X

CH2COO HCOO CH2O CH2NH2 CH2NH

X X X X X

X X X X X

X X X X X

X X X X

X X X X X

X X X X X

X X X X

X -

X X X -

X X X -

X X - - X - X X

CH2N ACNH2 C5H4N CH2CN COOH

X X X X X

X X X X

X X X X X

X X X X X

X X X X X

X X X X X

X X X X X

X X -

X X X X X

-

X X X

X

X X

X X -

X -

- - X X - - X -

CCL CCL2 CCL3 CCL4 ACCL

X X X X X

X X X X X

X X X X X

X X X X X

X X X X X

X X X X X

X X X X X

X -

X X X X X

X X -

X X X X X

X X -

X X X X X

X X

X X

X X X X

X X X

X X X -

X X X X X

X X X X -

X X X X X X X - - X

CH2NO2 ACNO2 CS2 CH2SH FURFURAL

X X X X X

X X -

X X X X X

X X X X

X X X X X

X X X -

X X X X

-

X X X X

-

X X X

X -

X X X -

X -

-

-

X -

-

X X X -

-

X X X -

-

X X

X X X X

X -

X - - - - - - -

(CH2OH)2 I BR CH#C DMSO

X X X X X

X X

X X X X

X X X

X X X X

X X

X X

X -

X X X X

-

X X X X

-

X X X X

-

-

X

X -

-

X -

X X

X -

X X

X X

X X X

X -

X X X X -

-

-

X

-

- - - X - - -

ACRYLONI CL(C=C) ACF DMF CF2

X X X X X

X X -

X X X -

X X -

X X X -

X X X -

X X -

-

X X -

-

X X -

-

X X X -

-

-

X -

X -

-

X X -

X X -

X -

-

X -

X X X X -

-

X -

-

X -

X -

-

X -

-

-

X -

X -

- - - - - X -

COO SIH2 SIO NMP

X X X X

X -

X X X X

X X

X X X

X -

X X

X -

X X -

-

X -

X -

X -

-

X -

-

X -

-

X -

X -

X -

X -

X -

X X -

X -

X -

-

X -

-

-

-

X -

-

-

X -

X -

C O O H

C C C C L L 2

3-78 • Group Contribution Method Functional Groups

C C L 3

C C L 4

A C C H N C 2 O S S 2 2 H

A C R Y L O N I

MAIN GROUP

C H 2 O

C H 2 N

( C H 2 O C H H ) B # 2 I R C

A C C C A C H = C H O 2 C H 2 H

H C O O

C H 2 N H

C H 2 N O 2

F U R F U R A L

X -

-

-

-

S C I S N O H I M O 2 O P

- X - - -

Physical Property Data 11.1

Notes 1

2

3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19

Physical Property Data 11.1

The contributions for PC are missing for the following groups: 120, 124, 148, and 151. The contributions for VC are missing for the following groups: 120, 146, 147, 148, 149, 150, and 151. Used only for branched alkanes. The delta Platt number is defined as the Platt number of the isomer, minus the Platt number of the corresponding alkane. The Platt number is the total number of groups with four carbon atoms, three bonds apart. For n-alkanes, the Platt number is n-3. Includes naphthenic alcohols and glycols, but not aromatic alcohols, such as xylenol. CD represents a carbon atom joined to another carbon atom by a double bond. CT represents a carbon atom joined to another carbon atom by a triple bond. CB represents a carbon atom in an aromatic ring. CA represents the central carbon atom of an allene group, >C=C=CCH-, use group 152. For -F substitution on nonaromatic C=C, use group 153. The contributions for VC, DGFORM, and CPIG are missing. This >CH- group represents a carbon atom common to two condensed saturated rings. The contribution for VC is missing for groups 142, >Si< and 143, >B-. The contribution for VC is missing for groups 142, >Si< and 143, >B-. The contribution for PC is missing for group 143, >B-.

Group Contribution Method Functional Groups • 3-79

20 R represents radicals, such as Methyl. Groups 140 through 159 are valid radical types. 21 Lyngby modified UNIFAC model. 22 Dortmund modified UNIFAC model. 23 c denotes cyclic functional group. 24 AC denotes a carbon atom in an aromatic ring. 25 P denotes primary alcohol, S for secondary, and T for tertiary. 26 FCH2O denotes CH2-O group in a furan ring. 27 Functional groups used in Henry’s Law application and in PSRK and MHV2 equations of state. 28 Functional groups used in MHV2 equation of state.

3-80 • Group Contribution Method Functional Groups

Physical Property Data 11.1

CHAPTER 4

Property Sets

Overview A property set is a list of properties that you can use for: • Heating and cooling curve reports • Distillation column stage property reports and performance specifications • Reactor profile reports • Design specifications and constraints • FORTRAN blocks • Sensitivity blocks • Optimization • Stream reports and report scaling • Physical property tables The properties for these applications are defined indirectly. Define a property set listing the properties. Each property set is assigned an ID. Use the Prop-Set ID on other forms, such as heating and cooling curve forms. Use the Prop-Sets form to list the properties for a property set. You can specify the phase as follows:

Physical Property Data 11.1

Phase

Description

V L1 L2 L S T

Vapor First liquid phase Second liquid phase Total liquid phase Solid phase Total mixture for mixed substream

Property Sets • 4-1

For the property set you can also define: • Temperature at which to calculate the property • Pressure at which to calculate the property • Whether to include or exclude water from the calculation • Units for the property • Components for which the properties are to be calculated (for pure component properties and properties of components in a mixture) When you use multiple qualifiers, the property is computed for each valid combination of qualifiers. The tables in this chapter describe the properties available in the Aspen Physical Property System. These tables show the phase qualifiers and indicate if the temperature, pressure, and basis qualifiers are applicable. A point (•) in the tables indicates that you can use the qualifier for that property. The properties listed in a property set are calculated only for the substream specified. Table 4.9 lists properties that can be calculated for all substreams.

4-2 • Property Sets

Physical Property Data 11.1

Table 4.1 Mixture Thermodynamic Properties Volume

PROPNAME Description RHOLSTD RHOMX VLSTDMX VMX VVSTDMX

PHASE

V L L1 L2 T Density V L L1 L2 ST Standard liquid volume V L L1 L2 T Volume V L L1 L2 ST Standard vapor volume V L L1 L2 T

TEMP PRES BASISUnits

Standard liquid density







MOLE-DENSITY or MASS-DENSITY



MOLE-DENSITY or MASS-DENSITY

• •











MOLE-VOLUME or VOLUMEFLOW MOLE-VOLUME or VOLUMEFLOW MOLE-VOLUME or VOLUMEFLOW

Flow Rates, Fractions

PROPNAME Description BETA

PHASE

TEMP PRES BASISUnits

Molar fraction of liquid that is L1 Liquid fraction

LFRAC

MASSFLMX Mass flow rate

— — •

V L L1 L2 ST

MASSVFRAC Mass vapor fraction

MASS-FLOW —

MASSSFRAC Mass solid fraction MOLEFLMX Mole flow rate



V L L1 L2 ST

MOLE-FLOW

SFRAC

Solid fraction



VFRAC

Mole vapor fraction



VOLFLMX

Volume flow rate



V L L1 L2 ST

VOLUME-FLOW

Enthalpy, Entropy, Gibbs Energy, Heat Capacity

PROPNAME Description

PHASE

AVAILMX

Availability, H-ToS To=298.15 K Heat capacity ratio (CPMX/CVMX) Ideal gas heat capacity

V L L1 L2 ST V L L1 L2 ST V













Constant pressure heat capacity Specific heat at saturation Constant volume heat capacity Gibbs free energy of mixing

V L L1 L2 ST V L L1 L2













V L L1 L2 ST L L1 L2 T













CPCVMX CPIGMX CPMX CSATMX CVMX DGMIX

1

Physical Property Data 11.1

TEMP PRES BASISUnits





MOLE-ENTHALPY, MASSENTHALPY or ENTHALPY-FLOW — MOLE-HEAT-CAPACITY or MASSHEAT-CAPACITY MOLE-HEAT-CAPACITY or MASSHEAT-CAPACITY MOLE-HEAT-CAPACITY or MASSHEAT-CAPACITY MOLE-HEAT-CAPACITY or MASSHEAT-CAPACITY MOLE-ENTHALPY, MASSENTHALPY or ENTHALPY-FLOW

Property Sets • 4-3

PROPNAME Description

PHASE

DGMX

Free energy departure







DHMX

Enthalpy departure







DSMX

Entropy departure

V L L1 L2 ST V L L1 L2 ST V L L1 L2 ST V













Excess free energy

V L L1 L2 ST L L1 L2 S







Ideal gas enthalpy

V



Enthalpy







Excess enthalpy

V L L1 L2 ST L L1 L2 S







Ideal gas entropy

V



Entropy

V L L1 L2 ST



GIGMX

1

Ideal gas free energy

GMX GXS

Free energy 2

HIGMX

1

HMX HXS

2

1

SIGMX SMX

TEMP PRES BASISUnits







• •



MOLE-ENTHALPY, MASSENTHALPY or ENTHALPY-FLOW MOLE-ENTHALPY, MASSENTHALPY or ENTHALPY-FLOW MOLE-ENTROPY or MASSENTROPY MOLE-ENTHALPY, MASSENTHALPY or ENTHALPY-FLOW MOLE-ENTHALPY, MASSENTHALPY or ENTHALPY-FLOW MOLE-ENTHALPY, MASSENTHALPY or ENTHALPY-FLOW MOLE-ENTHALPY, MASSENTHALPY or ENTHALPY-FLOW MOLE-ENTHALPY, MASSENTHALPY or ENTHALPY-FLOW MOLE-ENTHALPY, MASSENTHALPY or ENTHALPY-FLOW MOLE-ENTROPY or MASSENTROPY MOLE-ENTROPY or MASSENTROPY

Other Properties

PROPNAME Description

PHASE

ABSHUMID Absolute humidity

V

Amount of O2 needed to V L L1 L2 S completely combust a given material MWMX Molecular weight V L L1 L2 ST PBUB Bubble point pressure V L L1 L2 T 3 PCMX Pseudo-critical pressure V L L1 L2 ST PDEW Dew point pressure V L L1 L2 T PH2OTDEW Dew point temperature V for water at the partial pressure of water PRES Pressure

TEMP PRES BASISUnits — MOLES or MASS

COMB-O2

PRMX

4

RAT-MLFR

5

RAT-MSFR

5

Reduced pressure (based V L L1 L2 on PCMX) ST Ratio of mole fractions V L L1 L2 T Ratio of mass fractions V L L1 L2 T

4-4 • Property Sets











PRESSURE



PRESSURE



PRESSURE



TEMPERATURE

PRESSURE •











Physical Property Data 11.1

PROPNAME Description RAT-VLFR

5

PHASE

SONVELMX Sonic velocity

V L L1 L2 T V L L1 L2 T V L L1 L2 T L L1 L2 T

SUM-MLFR

6

Sum of mole fractions

SUM-MSFR

6

Sum of mass fractions

SUM-VLFR

6

Sum of liquid volume fractions Bubble point temperature V L L1 L2 T Pseudo-critical V L L1 L2 temperature ST Dew point temperature V L L1 L2 T Temperature

TCMX

3

TDEW TEMP TRMX

4

VCMX

3

ZCMX

3

Reduced temperature (based on TCMX) Pseudo-critical volume Pseudo-critical compressibility factor Compressibility factor

ZMX



Ratio of liquid volume L L1 L2 T fractions Percent relative humidity V

RELHUMID

TBUB

TEMP PRES BASISUnits

V L L1 L2 ST V L L1 L2 ST V L L1 L2 ST V L L1 L2 S

— —









• •













TEMPERATURE



TEMPERATURE



TEMPERATURE TEMPERATURE











MOLE-VOLUME









Table 4.2 Thermodynamic Properties of Components in Mixtures PROPNAME Description 2

GAMMA GAMPC

2

GAMUS

2

KLL2 KVL KVL2

7

PHASE

TEMP PRES BASISUnits

Activity coefficient

L L1 L2 S









Activity coefficient pressure correction

L L1 L2 S









L L1 L2

















Vapor-liquid K-value









Vapor-liquid2 K-value











MASS-CONC



MASS-FLOW

Unsymmetrically normalized activity coefficient Liquid-liquid K-value

MASSCONC Mass concentration MASSFLOW Mass flow rate

Physical Property Data 11.1

V L L1 L2 ST V L L1 L2 ST

Property Sets • 4-5

PROPNAME Description

PHASE

MASSFRAC Mass fraction

V L L1 L2 ST V L L1 L2 ST V L L1 L2 ST V L L1 L2 ST V L L1 L2 S V

MOLECONC Molar concentration MOLEFLOW Mole flow rate MOLEFRAC Mole fraction PHIMX

2

PPMX

Fugacity coefficient Partial pressure

TEMP PRES BASISUnits











MOLE-CONC



MOLE-FLOW











PRESSURE

8

V L L1 L2









Equilibrium solubility of a freeze-out component TFREEZ Freeze-out temperature of a component 9 TFRZMARG Temperature safety margin 10 VLSTD Standard liquid volume

V L L1 L2









V L L1 L2







TEMPERATURE

V L L1 L2











MOLE-VOLUME or VOLUMEFLOW —

SSOLFACT

Solubility safety factor

SSOLUB

VLSTDFR VVSTD VVSTDFR

V L L1 L2 T Standard liquid volume V L L1 L2 fraction T Standard vapor volume V Standard vapor volume fraction

• •



• •

V

MOLE-VOLUME or VOLUMEFLOW —

Table 4.3 Pure Component Thermodynamic Properties PROPNAME Description

PHASE

AVAIL

Availability, H-ToS To=298.15 K Constant pressure heat capacity Heat capacity ratio (CP/CV) Ideal gas heat capacity

V L L1 L2 ST V L L1 L2 ST V L L1 L2 ST V













Constant volume heat capacity Free energy departure

V L L1 L2 ST V L L1 L2 S L L1 L2 S













CP CPCV CPIG CV DG DGPC

1

Free energy departure pressure correction

4-6 • Property Sets

TEMP PRES BASISUnits



MOLE-ENTHALPY, MASSENTHALPY or ENTHALPY-FLOW MOLE-HEAT-CAPACITY or MASSHEAT-CAPACITY — MOLE-HEAT-CAPACITY or MASSHEAT-CAPACITY MOLE-HEAT-CAPACITY or MASSHEAT-CAPACITY MOLE-ENTHALPY, MASSENTHALPY or ENTHALPY-FLOW —

Physical Property Data 11.1

PROPNAME Description

PHASE

TEMP PRES BASISUnits

V L L1 L2 S Enthalpy of vaporization L









L L1 L2 S





DS

Enthalpy departure pressure correction Entropy departure





G

Free energy

V L L1 L2 S V L L1 L2 ST V





V L L1 L2 ST V



V L L1 L2 S L L1 L2 S





MOLE-ENTROPY or MASSENTROPY MOLE-ENTHALPY, MASSENTHALPY or ENTHALPY-FLOW MOLE-ENTHALPY, MASSENTHALPY or ENTHALPY-FLOW MOLE-ENTHALPY, MASSENTHALPY or ENTHALPY-FLOW MOLE-ENTHALPY, MASSENTHALPY or ENTHALPY-FLOW —







DH

Enthalpy departure

DHVL

11

DHPC

GIG

1

H

Ideal gas free energy Enthalpy

HIG

1

Ideal gas enthalpy

PHI

Fugacity coefficient

PHIPC

Fugacity coefficient pressure correction Vapor pressure

PL

12

RHO

Density

S

Entropy

SIG

1

Ideal gas entropy

SONVEL

Sonic velocity

V

Volume

MOLE-ENTHALPY, MASSENTHALPY or ENTHALPY-FLOW MOLE-ENTHALPY, MASSENTHALPY or ENTHALPY-FLOW —

• •



L



V L L1 L2 ST V L L1 L2 ST V





MOLE-DENSITY or MASS-DENSITY





V L L1 L2 T V L L1 L2 ST





MOLE-ENTROPY or MASSENTROPY MOLE-ENTROPY or MASSENTROPY —





PRESSURE

• •

MOLE-VOLUME or VOLUMEFLOW

Table 4.4 Electrolyte Properties PROPNAME Description

PHASE

FAPP

L L1 L2 S





MOLE-FLOW

L L1 L2 S





MOLE-FLOW

L L1 L2









L L1 L2









L L1 L2





FTRUE GXTRUE

GMTRUE

IONSM

Apparent component molar flow rate True species molar flow rates Activity coefficient of a true species (mole fraction scale) Activity coefficient of a true species (molality scale) Ionic strength (molality scale)

Physical Property Data 11.1

TEMP PRES BASISUnits



Property Sets • 4-7

PROPNAME Description IONSX

PHASE

TEMP PRES BASISUnits •





L L1 L2







L L1 L2







L L1 L2















MTRUE

Ionic strength (mole fraction scale) Apparent component molality True species molality

OSMOT

Osmotic coefficient

PH25

pH at 25°C

L L1 L2

PH

pH

L L1 L2

POH25

pOH at 25°C

L L1 L2

POH

pOH

L L1 L2







SOLINDEX

Solubility index (ratio of activity in mixture to activity at saturation) Apparent component mass flow rate True species mass flow rate Apparent component mass fraction True species mass fraction Apparent component mole fraction True species mole fraction

L L1 L2







L L1 L2 S





MASS-FLOW

L L1 L2 S





MASS-FLOW

L L1 L2 S







L L1 L2 S







L L1 L2 S







L L1 L2 S







MAPP

WAPP WTRUE WXAPP WXTRUE XAPP XTRUE







Table 4.5 Transport Properties Mixture

2

PROPNAME Description

PHASE

TEMP PRES BASISUnits

KINVISC

Kinematic viscosity

V L L1 L2







DIFFUSIVITY

KMX

Thermal conductivity







THERMAL-CONDUCTIVITY

MUMX

Viscosity

V L L1 L2 S V L L1 L2







VISCOSITY

PR

Prandtl Number

V L L1 L2









V L L1 L2







LENGTH

SIGMAMX

Dimensional Reynolds Number Surface tension

L L1 L2







SURFACE-TENSION

THRMDIFF

Thermal diffusivity

V L L1 L2 S







DIFFUSIVITY

RE

13

Component in a Mixture

2

PROPNAME Description

PHASE

DMX

V L L1 L2

Diffusion coefficient

4-8 • Property Sets

TEMP PRES BASISUnits •





DIFFUSIVITY

Physical Property Data 11.1

Pure Components

PROPNAME Description

PHASE

TEMP PRES BASISUnits

K

Thermal conductivity

V L L1 L2





THERMAL-CONDUCTIVITY

MU

Viscosity

V L L1 L2





VISCOSITY

SIGMA

Surface tension

L L1 L2





SURFACE-TENSION

Table 4.6 PetroleumRelated Properties for Mixtures PROPNAME Description ANILPT

PHASE

14

V L L1 L2 T API API gravity V L L1 L2 T CHRATIO Carbon to hydrogen ratio V L L1 L2 T FLPT-API Flash point, API method V L L1 L2 T FLPT-PM Flash point, PennskyV L L1 L2 Martens method T FLPT-TAG Flash point, Tag method V L L1 L2 T MABP Mean average boiling V L L1 L2 point T V PHYDRATE Hydrate formation 15 pressure PRPT-API Pour point, API method V L L1 L2 T QVALGRS Gross heating value V L L1 L2 T QVALNET Net heating value V L L1 L2 T REFINDEX Refractive index V L L1 L2 T REIDVP Reid vapor pressure L L1 L2

TEMP PRES BASISUnits

Aniline point

RVP-API

Reid vapor pressure, API V L L1 L2 method T RVP-P2 Reid vapor pressure, V L L1 L2 ASTM method, PML T implementation SG Specific gravity V L L1 L2 T SGAIR Specific gravity V (ref. AIR at 60°F) V THYDRATE Hydrate formation 15 temperature

Physical Property Data 11.1









TEMPERATURE











TEMPERATURE



TEMPERATURE



TEMPERATURE



TEMPERATURE



PRESSURE



TEMPERATURE



MASS-ENTHALPY



MASS-ENTHALPY







PRESSURE





PRESSURE





PRESSURE











TEMPERATURE

Property Sets • 4-9

PROPNAME Description

PHASE

14

TEMP PRES BASISUnits •

TEMPERATURE

VISINDEX

Volume average boiling V L L1 L2 point T Liquid viscosity index L L1 L2





WAT

Watson UOP K-factor





VABP

V L L1 L2 T

Distillation Curves

PROPNAME Description APICRV

PHASE

14

V L L1 L2 T APICRVWT API curve as a function V L L1 L2 of weight percent T D2887CRV ASTM D2887 curve as a V L L1 L2 function weight percent T D86CRK ASTM D86 curve with V L L1 L2 cracking correction T 16 ASTM D86 curve V L L1 L2 D86CRV T D86CRVWT ASTM D86 curve as a V L L1 L2 T function of weight percent D86WTCRK ASTM D86 weight curve VLL1 L2T with cracking correction D1160CRV ASTM D1160 curve V L L1 L2 T D1160CVW ASTM D1160 curve as a V L L1 L2 T function of weight percent GRVCRV Gravity curve V L L1 L2 T GRVCRVWT Gravity curve as a V L L1 L2 function of weight T percent MWCRV Molecular weight curve V L L1 L2 T MWCRVWT Molecular weight curve V L L1 L2 as a function of weight T percent 16 TBPCRV True boiling point curve V L L1 L2 T TBPCRVWT True boiling point curve V L L1 L2 as a function of weight T percent 16 Vacuum curve V L L1 L2 VACCRV T VACCRVWT Vacuum curve as a V L L1 L2 function of weight T percent

TEMP PRES BASISUnits •









TEMPERATURE



TEMPERATURE



TEMPERATURE



TEMPERATURE



TEMPERATURE





TEMPERATURE





TEMPERATURE



















TEMPERATURE



TEMPERATURE



TEMPERATURE



TEMPERATURE

API curve

4-10 • Property Sets

Physical Property Data 11.1

Distillation Temperature

PROPNAME Description D2887T D86T

17

D86TCK D86TWT D86TWTCK

17

D1160T

D1160TWT

TBPT

17

TBPTWT

VACT

17

VACTWT

PHASE

14

TEMP PRES BASISUnits

ASTM D2887 V L L1 L2 temperature T ASTM D86 temperature V L L1 L2 T ASTM D86 temperature V L L1 L2 with cracking correction T ASTM D86 temperature V L L1 L2 at a given weight percent T ASTM D86 temperature V L L1 L2 with cracking correction T at a given weight percent ASTM D1160 V L L1 L2 temperature T ASTM D1160 V L L1 L2 temperature at a given T weight percent True boiling point V L L1 L2 temperature T True boiling point V L L1 L2 temperature at a given T weight percent Vacuum temperature V L L1 L2 T Vacuum Temperature at V L L1 L2 a given weight percent T



TEMPERATURE



TEMPERATURE



TEMPERATURE



TEMPERATURE TEMPERATURE





TEMPERATURE





TEMPERATURE



TEMPERATURE



TEMPERATURE



TEMPERATURE



TEMPERATURE

Distillation Volume and Weight Percent

PROPNAME Description D2887WT D86LV

18

D86LVCK

D86WT D86WTCK

D1160LV D1160WT TBPLV TBPWT

18

18

PHASE

14

ASTM D2887 weight V L L1 L2 percent T ASTM D86 liquid V L L1 L2 volume percent T ASTM D86 liquid V L L1 L2 volume percent with T cracking correction ASTM D86 weight V L L1 L2 percent T V L L1 L2 ASTM D86 weight T percent with cracking correction ASTM D1160 liquid V L L1 L2 volume percent T ASTM D1160 weight V L L1 L2 percent T True boiling point liquid V L L1 L2 volume percent T True boiling point weight V L L1 L2 percent T

Physical Property Data 11.1

TEMP PRES BASISUnits •

























































Property Sets • 4-11

PROPNAME Description VACLV

18

VACWT

PHASE

14

Vacuum liquid volume V L L1 L2 percent T Vacuum weight percent V L L1 L2 T

TEMP PRES BASISUnits • •









Flow Rates for Petroleum Cuts

PROPNAME Description CUTS-E

19

CUTS-M

19

Flow rates for petroleum cuts and light ends in Deg. F Flow rates for petroleum cuts and light ends in Deg. C

PHASE

14

TEMP PRES BASISUnits

V L L1 L2 T





MOLE-FLOW, MASS-FLOW, or VOLUME-FLOW

V L L1 L2 T





MOLE-FLOW, MASS-FLOW, or VOLUME-FLOW

Petroleum Property from ASSAY Analysis 14

PROPNAME Description

PHASE

ANILPT

V L L1 L2 T V L L1 L2 T V L L1 L2 T V L L1 L2 T V L L1 L2 T V L L1 L2 T V L L1 L2 T V L L1 L2 T V L L1 L2 T V L L1 L2 T V L L1 L2 T V L L1 L2 T V L L1 L2 T V L L1 L2 T V L L1 L2 T V L L1 L2 T

Aniline point

AROMATIC Aromatic content ASPHALTE

Asphaltene content

BASIC-N2

Basic nitrogen

BROMINE

Bromine number

CARBON

Carbon content

CETANENO Cetane number CLOUDPT

Cloud point

COCARBON Conradson carbon content FLASHPT Flash point FREEZEPT

Freeze point

HYDROGEN Hydrogen content IRON

Iron content

KNOCKIDX Antiknock index KVISC

Kinematic viscosity

LUMI-NO

Luminometer number

4-12 • Property Sets

TEMP PRES BASISUnits





TEMPERATURE



















TEMPERATURE







TEMPERATURE







TEMPERATURE



TEMPERATURE















DIFFUSIVITY





Physical Property Data 11.1

PROPNAME Description

PHASE

14

V L L1 L2 T METAL Metal content V L L1 L2 T MOC-NO Motor octane number V L L1 L2 T NAPHTHENE Naphthene content V L L1 L2 T NICKEL Nickel content V L L1 L2 T OLEFIN Olefin content V L L1 L2 T OXYGEN Oxygen content V L L1 L2 T PARAFFIN Paraffin content V L L1 L2 T POURPT Pour point V L L1 L2 T REFINDEX Refractive index V L L1 L2 T ROC-NO Research octane number V L L1 L2 T RVP Reid vapor press. V L L1 L2 T SMOKEPT Smoke point V L L1 L2 T SULFUR Sulfur content V L L1 L2 T TOTAL-N2 Total nitrogen V L L1 L2 T VANADIUM Vanadium content V L L1 L2 T VISC Viscosity V L L1 L2 T VLOCKIDX Vapor knock index V L L1 L2 T WARMIDX Warm-up index V L L1 L2 T

TEMP PRES BASISUnits

MERCAPTA Mercaptan content





































TEMPERATURE











PRESSURE



LENGTH















VISCOSITY









Petroleum Property Curves

PROPNAME Description ANILCRV

Aniline point curve

PHASE

14

V L L1 L2 T AROMCRV Aromatic content curve V L L1 L2 T ASPHACRV Asphaltene content curve V L L1 L2 T BAS-NCRV Basic Nitrogen content V L L1 L2

Physical Property Data 11.1

TEMP PRES BASISUnits •

TEMPERATURE













Property Sets • 4-13

PROPNAME Description curve BROMICRV Bromine number curve CARBCRV

Carbon content curve

CETANCRV Cetane number curve CLOUDCRV Cloud point curve COCARCRV Conradson carbon content curve FLASHCRV Flash point curve FREEZCRV

Freeze point curve

14

PHASE TEMP PRES BASISUnits T V L L1 L2 • — T V L L1 L2 • — T V L L1 L2 • — T V L L1 L2 • TEMPERATURE T V L L1 L2 • — T V L L1 L2 • TEMPERATURE T L L1 L2 T • TEMPERATURE

HYDROCRV Hydrogen content curve V L L1 L2 T IRONCRV Iron content curve V L L1 L2 T KNOCKCRV Antiknock index curve V L L1 L2 T KVISCCRV Kinematic viscosity V L L1 L2 curve T LUM-NCRV Luminometer number V L L1 L2 curve T MERCCRV Mercaptan content curve V L L1 L2 T METALCRV Metal content curve V L L1 L2 T MOCNCRV Motor octane number V L L1 L2 curve T NAPHCRV Naphthene content curve V L L1 L2 T NICKCRV Nickel content curve V L L1 L2 T OLEFCRV Olefin content curve V L L1 L2 T OXYGEN Oxygen content curve V L L1 L2 T PARACRV Paraffin content curve V L L1 L2 T POURCRV Pour point curve V L L1 L2 T REFICRV Refractive index curve V L L1 L2 T ROCNCRV Research octane number V L L1 L2 curve T RVPCRV Reid vapor pressure V L L1 L2 curve T

4-14 • Property Sets

















DIFFUSIVITY







































TEMPERATURE











PRESSURE

Physical Property Data 11.1

PROPNAME Description SMOKCRV

PHASE

14

V L L1 L2 T SULFCRV Sulfur content curve V L L1 L2 T TOT-NCRV Total nitrogen content V L L1 L2 curve T UOPKCRV Watson UOP K curve V L L1 L2 T VANACRV Vanadium content curve V L L1 L2 T VISCCRV Viscosity curve V L L1 L2 TV VLOCKCRV Vapor knock index curve V L L1 L2 T WARMICRV Warm-up index curve V L L1 L2 T

TEMP PRES BASISUnits

Smoke point curve





LENGTH



















DIFFUSIVITY









Table 4.7 Elemental Analysis of Mixtures PROPNAME Description MOLEFLC MOLEFLH MOLEFLO MOLEFLN MOLEFLS MOLEFLF MOLEFLCL MOLEFLBR MOLEFLI MOLEFLAR MOLEFLHE MASSFLC MASSFLH MASSFLO MASSFLN MASSFLS MASSFLF MASSFLCL MASSFLBR MASSFLI MASSFLAR MASSFLHE MOLEFRC MOLEFRH MOLEFRO MOLEFRN MOLEFRS MOLEFRF MOLEFRCL MOLEFRBR

Mole flow of carbon atoms Mole flow of hydrogen atoms Mole flow of oxygen atoms Mole flow of nitrogen atoms Mole flow of sulfur atoms Mole flow of fluorine atoms Mole flow of chlorine atoms Mole flow of bromine atoms Mole flow of iodine atoms Mole flow of argon atoms Mole flow of helium atoms Mass flow of carbon atoms Mass flow of hydrogen atoms Mass flow of oxygen atoms Mass flow of nitrogen atoms Mass flow of sulfur atoms Mass flow of fluorine atoms Mass flow of chlorine atoms Mass flow of bromine atoms Mass flow of iodine atoms Mass flow of argon atoms Mass flow of helium atoms Mole fraction of carbon atoms Mole fraction of hydrogen atoms Mole fraction of oxygen atoms Mole fraction of nitrogen atoms Mole fraction of sulfur atoms Mole fraction of fluorine atoms Mole fraction of chlorine atoms Mole fraction of bromine atoms

Physical Property Data 11.1

PHASE

Units

V L L1 L2 S T V L L1 L2 S T V L L1 L2 S T V L L1 L2 S T V L L1 L2 S T V L L1 L2 S T V L L1 L2 S T V L L1 L2 S T V L L1 L2 S T V L L1 L2 S T V L L1 L2 S T V L L1 L2 S T V L L1 L2 S T V L L1 L2 S T V L L1 L2 S T V L L1 L2 S T V L L1 L2 S T V L L1 L2 S T V L L1 L2 S T V L L1 L2 S T V L L1 L2 S T V L L1 L2 S T V L L1 L2 S T V L L1 L2 S T V L L1 L2 S T V L L1 L2 S T V L L1 L2 S T V L L1 L2 S T V L L1 L2 S T V L L1 L2 S T

MOLE-FLOW MOLE-FLOW MOLE-FLOW MOLE-FLOW MOLE-FLOW MOLE-FLOW MOLE-FLOW MOLE-FLOW MOLE-FLOW MOLE-FLOW MOLE-FLOW MASS-FLOW MASS-FLOW MASS-FLOW MASS-FLOW MASS-FLOW MASS-FLOW MASS-FLOW MASS-FLOW MASS-FLOW MASS-FLOW MASS-FLOW — — — — — — — —

Property Sets • 4-15

PROPNAME MOLEFRI MOLEFRAR MOLEFRHE MASSFRC MASSFRH MASSFRO MASSFRN MASSFRS MASSFRF MASSFRCL MASSFRBR MASSFRI MASSFRAR MASSFRHE

Description Mole fraction of iodine atoms Mole fraction of argon atoms Mole fraction of helium atoms Mass fraction of carbon atoms Mass fraction of hydrogen atoms Mass fraction of oxygen atoms Mass fraction of nitrogen atoms Mass fraction of sulfur atoms Mass fraction of fluorine atoms Mass fraction of chlorine atoms Mass fraction of bromine atoms Mass fraction of iodine atoms Mass fraction of argon atoms Mass fraction of helium atoms

PHASE V L L1 L2 S T V L L1 L2 S T V L L1 L2 S T V L L1 L2 S T V L L1 L2 S T V L L1 L2 S T V L L1 L2 S T V L L1 L2 S T V L L1 L2 S T V L L1 L2 S T V L L1 L2 S T V L L1 L2 S T V L L1 L2 S T V L L1 L2 S T

Units — — — — — — — — — — — — — —

Table 4.8 Nonconventional Component Properties PROPNAME Description DENSITY

Density

ENTHALPY

Enthalpy 20

HEATCAPACITY

PHASE

20

Heat capacity

20

Temperature

Units

S



MASS-DENSITY

S



MASS-ENTHALPY

S



MASS-HEAT-CAPACITY

Table 4.9 Valid Properties for Substream ALL PROPNAME Description

PHASE

GMX

Free energy of mixture

HMX

Enthalpy of mixture

V L L1 L2 ST V L L1 L2 ST

LFRAC

Liquid fraction

MASSCONC Mass concentration MASSFLMX Mass flow rate of mixture MASSFLOW Mass flow rate of components in mixture MASSFRAC Mass fraction

V L L1 L2 ST V L L1 L2 ST V L L1 L2 ST V L L1 L2 ST

TEMP PRES BASISUnits •











MOLE-ENTHALPY, MASSENTHALPY, or ENTHALPY-FLOW MOLE-ENTHALPY, MASSENTHALPY



MASS-CONC



MASS-FLOW



MASS-FLOW





MASSSFRAC Mass solid fraction MASSVFRAC Mass vapor fraction MOLECONC Molar concentration

4-16 • Property Sets

— V L L1 L2 ST



MOLE-CONC

Physical Property Data 11.1

PROPNAME Description

PHASE

MOLEFLMX Mole flow rate of mixture MOLEFLOW Mole flow rate of components in mixture MOLEFRAC Mole fraction

V L L1 L2 ST V L L1 L2 ST V L L1 L2 ST V L L1 L2 ST V L L1 L2 ST

MWMX RHOMX

Molecular weight of mixture Density of mixture

SFRAC

Solid fraction

SMX

Entropy of mixture

VFRAC

Mole vapor fraction

VMX

Volume of mixture

VOLFLMX

Volume flow rate of mixture

TEMP PRES BASISUnits







MOLE-FLOW



MOLE-FLOW











MOLE-DENSITY or MASS-DENSITY —

V L L1 L2 ST







MOLE-ENTROPY or MASSENTROPY —

V L L1 L2 ST V L L1 L2 ST







MOLE-VOLUME or VOLUMEFLOW VOLUME-FLOW



Notes 1

Ideal gas properties are computed at the specified temperature and the reference pressure of 1 atm. 2 PHASE = L is not allowed if two liquid phases are present. 3 Pseudocritical property; a mole-fraction average of the pure component critical properties. A PT-Envelope should be used to calculate the true mixture critical properties. 4 Based on pseudocritical property (see note 3). 5 Specify components for numerator and denominator of ratio as single component, component group, or boiling point range. 6 Specify single component, component group, or boiling point range. 7 Vapor-liquid K-value for PHASE=L1 is returned if two liquid phases are present. 8 Ratio of equilibrium solubility of the freeze-out component and its mole-fraction 9 Temperature at which a component at its given concentration just begins to freeze out 10 Temperature safety margin is defined as stream temperature — freeze-out temperature (TFREEZ) 11 Should be obtained using FLASHCURVE with VFRAC=0.

Physical Property Data 11.1

Property Sets • 4-17

12 PL cannot be calculated by the following property option sets: PENG-ROB, PRWS, PRMHV2, PSRK, RK-SOAVE, RKSWS, RKSMHV2, RK-ASPEN, STEAM-TA, STEAMNBS, LK-PLOCK, and SR-POLAR. RE =

13

(mass flow) π viscosity 4

Dimensionless Reynolds Number can be computed from RE by dividing by pipe diameter (Reynolds RE D

14

15 16 17 18 19 20

4-18 • Property Sets

Number ). Combined phase properties are calculated using the combined phase composition, not by mixing the properties of the individual phases. (PHASE=T, or PHASE=L when two liquid phases are present.) The effect of inhibitors on hydrate formation temperature and pressure is not observed. Temperature calculated for LVPCT=0, 5, 10, 30, 50, 70, 90, 95, 100 LVPCT required TEMP required Reports flow rates in 100 deg F or 50 deg C increments. All properties are component properties. Nonconventional component mixture properties cannot be computed using PROP-SET.

Physical Property Data 11.1

Index A

AQU92 databank: 1-16 AQUEOUS databank: 1-15, 1-68 ASPENPCD databank: 1-16, 1-22

Databanks: 1-1, 1-4, 1-15, 1-16, 1-17, 1-18, 1-19, 1-22, 1-68 DFMS databank management: 1-4 E

ETHYLENE databank: 1-19 C

COMBUST databank: 1-19 D

Databanks AQU92: 1-16 AQUEOUS: 1-15, 1-68 ASPENPCD: 1-16, 1-22 COMBUST: 1-19 ETHYLENE: 1-19 in-house: 1-1 INORGANIC: 1-16 managing with DFMS: 1-4 Pure Component: 1-22 PURE10: 1-18 PURE11: 1-17 PURE856: 1-18 PURE93: 1-18 SOLIDS: 1-18 system: 1-1 user: 1-1

Physical Property Data 11.1

I

In-house databanks: 1-1 INORGANIC databank: 1-16 P

Pure Component databanks: 1-22 PURE10 databank: 1-18, 1-22 PURE11 databank: 1-17, 1-22 PURE856 databank: 1-18, 1-22 PURE93 databank: 1-18, 1-22 S

SOLIDS databank: 1-18 System databanks: 1-1 U

User databanks: 1-1

Index • 1

2 • Index

Physical Property Data 11.1