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Gas Phase Heat Capacity (Shomate Equation)

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Cp° = A + B*t + C*t2 + D*t3 + E/t2
H° − H°298.15= A*t + B*t2/2 + C*t3/3 + D*t4/4 − E/t + F − H
S° = A*ln(t) + B*t + C*t2/2 + D*t3/3 − E/(2*t2) + G
    Cp = heat capacity (cal/mol*K)
    H° = standard enthalpy (kcal/mol)
    S° = standard entropy (cal/mol*K)
    t = temperature (K) / 1000.

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Temperature (K) 3156.584 - 6000.
A 6.484530
B -0.618442
C 0.070533
D 0.003633
E 0.009998
F 100.7310
G 51.18650
H 102.8000
ReferenceChase, 1998
Comment Data last reviewed in December, 1976
Temperature
(K)
Cp
(cal/mol*K)

(cal/mol*K)
-(G° - H°298.15)/T
(cal/mol*K)
H° - H°298.15
(kcal/mol)
3157.5.3557.0851.9616.15
3200.5.3557.1552.0316.38
3300.5.3457.3152.1916.91
3400.5.3457.4752.3417.45
3500.5.3457.6352.4917.98
3600.5.3457.7852.6418.51
3700.5.3557.9352.7819.05
3800.5.3558.0752.9119.58
3900.5.3658.2153.0520.12
4000.5.3758.3453.1820.66
4100.5.3958.4853.3121.19
4200.5.4058.6153.4321.73
4300.5.4258.7353.5522.27
4400.5.4458.8653.6722.82
4500.5.4658.9853.7923.36
4600.5.4959.1053.9023.91
4700.5.5159.2254.0224.46
4800.5.5459.3454.1325.01
4900.5.5859.4554.2325.57
5000.5.6159.5654.3426.13
5100.5.6559.6854.4426.69
5200.5.6959.7954.5427.26
5300.5.7359.8954.6427.83
5400.5.7760.0054.7428.40
5500.5.8260.1154.8428.98
5600.5.8760.2154.9329.57
5700.5.9260.3255.0330.16
5800.5.9860.4255.1230.75
5900.6.0460.5255.2131.35
6000.6.1060.6355.3031.96

References

Go To: Top, Gas Phase Heat Capacity (Shomate Equation), Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Chase, 1998
Chase, M.W., Jr., NIST-JANAF Themochemical Tables, Fourth Edition, J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [all data]


Notes

Go To: Top, Gas Phase Heat Capacity (Shomate Equation), References