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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) 3504.616 - 6000.
A 3.487861
B 1.248720
C -0.257858
D 0.017686
E 0.551961
F 107.6330
G 45.47070
H 107.5530
ReferenceChase, 1998
Comment Data last reviewed in March, 1967
Temperature
(K)
Cp
(cal/mol*K)

(cal/mol*K)
-(G° - H°298.15)/T
(cal/mol*K)
H° - H°298.15
(kcal/mol)
3505.5.5052.8748.0816.78
3600.5.5153.0248.2117.31
3700.5.5153.1748.3417.86
3800.5.5253.3148.4718.41
3900.5.5253.4648.6018.96
4000.5.5253.6048.7219.51
4100.5.5253.7348.8420.07
4200.5.5353.8748.9620.62
4300.5.5354.0049.0721.17
4400.5.5354.1249.1921.72
4500.5.5254.2549.3022.28
4600.5.5254.3749.4122.83
4700.5.5254.4949.5123.38
4800.5.5254.6149.6223.93
4900.5.5254.7249.7224.49
5000.5.5254.8349.8225.04
5100.5.5254.9449.9225.59
5200.5.5255.0550.0226.14
5300.5.5255.1550.1226.69
5400.5.5255.2650.2127.24
5500.5.5255.3650.3027.80
5600.5.5255.4650.3928.35
5700.5.5255.5550.4828.90
5800.5.5255.6550.5729.45
5900.5.5355.7450.6630.00
6000.5.5355.8450.7430.56

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

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