Format for Thermodynamic Data Coefficients

This page explains the format for data used at this web site. Thermodynamic equations used are:

Equation 1

Equation 2

Equation 3



TABLE CI.—FORTRAN FORMAT USED FOR DATA 
Record
Contents
FORTRAN
format
Columns
1
Species name or formula
Comments and data source
A16
A62
1 to 16
19 to 80
2
Number of T intervals
Reference data code
Chemical formula—symbols (all capitals) and numbers
Zero for gas; nonzero for condenseda
Molecular weight
Heat of formation at 298.15 K, J/mol
I2
A6
5(A2, F6.2)
I2
F13.7
F15.5
1 to 2
4 to 9
11 to 50
51 to 52
53 to 65
66 to 80
3
Temperature range

Number of coefficients for c over p parenthesis T 
parenthesis slash r (always seven)

T exponents in empirical equation for c over p 
parenthesis T parenthesis slash r
[always –2, –1, 0, 1, 2, 3, 4; see eq. (1)]

Ho(298.15) – Ho(0) J/mol, if available
2F11.3

I1

8F5.1



F15.3
1 to 22

23

24 to 63



66 to 80
4
First five coefficients for c over p parenthesis T 
parenthesis slash r , eq. (1)
5D16.9
1 to 80
5
Last two coefficients for c over p parenthesis T 
parenthesis slash r , eq. (1)
Integration constants b1 and b2, eqs. (2) and (3)
2D16.9
2D16.9
1 to 32
49 to 80
--
Repeat 3, 4, and 5 for each interval
---------
----------
a - Condensed phases are numbered in increasing order by temperature


For example, the following data are for condensed titanium nitride:

Titanium Nitride Data Table


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