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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) 298. - 1100.1100. - 6000.
A 6.2927305.023091
B 0.7941452.335230
C 2.053271-0.244415
D -1.1652710.003292
E 0.0255871.085430
F 102.1590104.1830
G 55.8744055.61429
H 104.0000104.0000
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in June, 1969 Data last reviewed in June, 1969
Temperature
(K)
Cp
(cal/mol*K)

(cal/mol*K)
-(G° - H°298.15)/T
(cal/mol*K)
H° - H°298.15
(kcal/mol)
298.6.9748.4348.43-0.00
300.6.9748.4848.430.01
400.7.0250.4948.710.71
500.7.1652.0749.221.42
600.7.3353.3949.812.15
700.7.5154.5350.412.89
800.7.6955.5450.993.65
900.7.8556.4651.544.42
1000.8.0057.2952.085.22
1100.8.1258.0652.596.02
Temperature
(K)
Cp
(cal/mol*K)

(cal/mol*K)
-(G° - H°298.15)/T
(cal/mol*K)
H° - H°298.15
(kcal/mol)
1100.8.2058.0752.596.03
1200.8.2358.7853.076.85
1300.8.3059.4453.547.67
1400.8.3860.0653.988.51
1500.8.4760.6454.419.35
1600.8.5761.1954.8110.20
1700.8.6861.7155.2111.06
1800.8.7962.2155.5811.94
1900.8.9062.6955.9412.82
2000.9.0163.1556.2913.72
2100.9.1363.5956.6314.63
2200.9.2464.0256.9615.54
2300.9.3564.4357.2716.47
2400.9.4564.8357.5817.41
2500.9.5665.2257.8818.36
2600.9.6665.6058.1719.32
2700.9.7665.9658.4520.30
2800.9.8666.3258.7221.28
2900.9.9566.6758.9922.27
3000.10.0467.0159.2523.27
3100.10.1267.3459.5124.27
3200.10.2167.6659.7625.29
3300.10.2967.9860.0026.32
3400.10.3668.2860.2427.35
3500.10.4368.5960.4828.39
3600.10.5068.8860.7029.43
3700.10.5669.1760.9330.49
3800.10.6269.4561.1531.55
3900.10.6869.7361.3732.61
4000.10.7370.0061.5833.68
4100.10.7870.2761.7934.76
4200.10.8270.5361.9935.84
4300.10.8770.7862.1936.92
4400.10.9071.0362.3938.01
4500.10.9471.2862.5939.10
4600.10.9771.5262.7840.20
4700.10.9971.7562.9741.30
4800.11.0171.9863.1542.40
4900.11.0372.2163.3343.50
5000.11.0472.4463.5144.60
5100.11.0572.6563.6945.71
5200.11.0672.8763.8746.81
5300.11.0673.0864.0447.92
5400.11.0673.2964.2149.03
5500.11.0673.4964.3750.13
5600.11.0573.6964.5451.24
5700.11.0473.8864.7052.34
5800.11.0274.0864.8653.44
5900.11.0074.2665.0254.54
6000.10.9874.4565.1755.64

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