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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) 3133.345 to 6000.
A 2.698980
B 1.670581
C -0.265369
D 0.029243
E 1.359771
F 101.2280
G 49.32101
H 99.30010
ReferenceChase, 1998
Comment Data last reviewed in March, 1978
Temperature
(K)
Cp
(cal/mol*K)

(cal/mol*K)
-(G° - H°298.15)/T
(cal/mol*K)
H° - H°298.15
(kcal/mol)
3133.6.3756.5751.4216.14
3200.6.4256.7051.5316.56
3300.6.5056.9051.6917.21
3400.6.5857.0951.8417.86
3500.6.6657.2951.9918.52
3600.6.7457.4852.1419.19
3700.6.8357.6652.2919.87
3800.6.9157.8452.4320.56
3900.7.0058.0252.5821.25
4000.7.0958.2052.7121.96
4100.7.1858.3852.8522.67
4200.7.2858.5552.9823.40
4300.7.3758.7353.1124.13
4400.7.4758.9053.2424.87
4500.7.5759.0753.3725.62
4600.7.6859.2353.5026.39
4700.7.7959.4053.6227.16
4800.7.9059.5653.7427.94
4900.8.0159.7353.8628.74
5000.8.1359.8953.9829.55
5100.8.2560.0554.1030.36
5200.8.3760.2254.2231.20
5300.8.5060.3854.3332.04
5400.8.6360.5454.4432.90
5500.8.7760.7054.5633.77
5600.8.9160.8654.6734.65
5700.9.0661.0154.7835.55
5800.9.2161.1754.8936.46
5900.9.3661.3354.9937.39
6000.9.5261.4955.1038.33

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