National Institute of Standards and Technology
Computational Chemistry Comparison and Benchmark DataBase
Release 22May 2022
NIST Standard Reference Database 101
IIExperimental data
IIICalculated data
IVData comparisons
VCost comparisons
VIInput and output files
VIITutorials and Units
VIIILinks to other sites
XOlder CCCBDB versions
XIII Vibrations
XIVReaction data
XVEntropy data
XVIBibliographic data
XVIIIon data
XVIIIBad calculations
XIXIndex of properties
XXH-bond dimers

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II.C.1. (XV.B.)

Thermodynamic reference states.

Integrated Heat Capacity (H(298)-H(0)) in kJ mol-1
Element Reference State H(298)-H(0) unc.
H H2, g 8.468 0.001
D D2, g 8.569  
He He, g 6.197  
Li Li, cr 4.632 0.040
Be Be, cr 1.950 0.020
B B, cr 1.222 0.008
C C, cr graphite 1.050 0.020
N N2, g 8.670 0.001
O O2, g 8.680 0.002
F F2, g 8.825 0.001
Ne Ne, g 6.197  
Na Na, cr 6.460 0.020
Mg Mg, cr 4.998 0.030
Al Al, cr 4.540 0.020
Si Si, cr 3.217 0.008
P P, cr white 5.360 0.002
S S, cr rhombic 4.412 0.006
Cl Cl2, g 9.181 0.001
Ar Ar, g 6.197  
K K, cr 7.082  
Ti Ti, cr 4.824 0.015
Cu Cu, cr 5.004 0.008
Br Br2, l 24.520 0.010
Kr Kr, g 6.197  
Xe Xe, g 6.197  
Data from CODATA
Cox, J.D.; Wagman, D.D.; Medvedev, V.A.CODATA Key Values for Thermodynamics. Hemisphere, New York, 1989

For gas-phase species with well defined enthalpies of formation that are useful in calculating reactions see section VII.C.2 Species with well-known enthalpies of formation

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