Databases on Thermodynamics

 

No.

Database name
Database Producer
Number of Records
Remarks

 

1.

JANAF

(NIST)

National Institute of Standards and Technology, U.S.A.

1 800 base records

5 000 comp. records

8 000 reaction records

Inorganic and small organic compounds; EQS4WIN Program

 

2.

IVTANTHERMO

ThermoCenter, Moscow

2 600 base records

Inorganic and small organic compounds

 

3.

DETHERM

FIZ CHEMIE, Berlin

20 000 substances

315 000 records

500 properties for chemical industry

 

4.

TRCTHERMO

Thermodynamic Research Center, Texas

7 000 substances

20 evaluated compound properties

 

5.

FACTBASE

McGill University; École Polytechnique de Montréal

5 000 species

Data for chemical metallurgy;

Database Set F*A*C*T

 

6.

SGTE

Scientific Group Thermodata Europe

4 200 substances

Inorganic and metallurgical systems; MTDATA Software

 

7.

NPL Organic

National Physical Laboratory, UK

3 000 substances

Metallurgical thermochemistry; MTDATA Soft

 

8.

MALT2

(http://www.kagaku.com/malt)

Working Group of T. Matsumoto, Tokyo

5 000 substances

Materials-oriented data for newest technologies

9.

NIST CSSCMC

 

National Institute of Standards and Technology, U.S.A.

6 000 ligands

83 000 records

Stability constants, Aqueous systems;

The six-volume Critical Stability Constants by Martell and Smith

10.

SC IUPAC

(http://www.acadsoft.co.uk/)

L. D. Pettit, K. J. Powell, Academic Software, UK

170 000 records

Stability constants and related data on the complexation of metal cations with ligands in solutions

11.

HYBOND

(http://www.ibmh.msk.su/qsar)

O. A. Raevsky, Institute of Physiologically Active Compounds, Russia

12 000 records

Gibbs energy and enthalpy of hydrogen bonding in solution

12.

THECOMAC

V. P. Soloviev, Institute of Physiologically Active Compounds, Russia

10 000 records

Stability constants, enthalpy and entropy values on macrocyclic ligand complexation in solutions

13.

Electronic Data Files

H. V. Kehaiain, Institut de Topologie et de Dynamique des Systèmes du CNRS

 

Standardization of Physico-Chemical Property; Primary experimental data

14.

HSC

Database on Thermodynamic Properties of Individual Substances

15 000 records

Enthalpy (H), entropy (S) and heat capacity (C) data

15

SEDATA

Solvent Extraction Database

> 12000 records

Extraction constants, distribution coefficients