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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 -DfH°f,298
S° = A*ln(t) + B*t + C*t2/2 + D*t3/3 - E/(2*t2) + G
Cp = heat capacity (J/mol*K)
H° = standard enthalpy (kJ/mol)
DfH°298.15 = enthalpy of formation at 298.15 K (kJ/mol)
S° = standard entropy (J/mol*K)
t = temperature (K) / 1000.
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Temperature (K) | 298. - 900. | 900. - 3000. |
---|---|---|
A | 17.23264 | 49.78374 |
B | 85.63811 | 2.238048 |
C | -83.27290 | -0.742003 |
D | 29.63427 | 0.087952 |
E | -0.537933 | -2.813004 |
F | -328.0587 | -341.3173 |
G | 15.87020 | 66.70509 |
DH°f,298 (kJ/mol) | -317.9844 | -317.9844 |
Reference | Chase, 1998 | Chase, 1998 |
Comment | Data last reviewed in December, 1979 | Data last reviewed in December, 1979 |
Temperature (K) | Cp (J/mol*K) | S° (J/mol*K) | -(G° - H°298.15)/T (J/mol*K) | H° - H°298.15 (kJ/mol) |
---|---|---|---|---|
298. | 30.08 | 20.12 | 20.15 | -0.01 |
300. | 30.25 | 20.32 | 20.15 | 0.05 |
400. | 36.70 | 29.99 | 21.42 | 3.43 |
500. | 40.79 | 38.65 | 24.01 | 7.32 |
600. | 43.54 | 46.34 | 27.11 | 11.54 |
700. | 45.44 | 53.21 | 30.35 | 16.00 |
800. | 46.78 | 59.37 | 33.60 | 20.61 |
900. | 47.80 | 64.94 | 36.78 | 25.34 |
Temperature (K) | Cp (J/mol*K) | S° (J/mol*K) | -(G° - H°298.15)/T (J/mol*K) | H° - H°298.15 (kJ/mol) |
---|---|---|---|---|
900. | 47.79 | 64.93 | 36.78 | 25.34 |
1000. | 48.55 | 70.01 | 39.85 | 30.16 |
1100. | 49.14 | 74.66 | 42.81 | 35.04 |
1200. | 49.60 | 78.96 | 45.64 | 39.98 |
1300. | 49.97 | 82.95 | 48.36 | 44.96 |
1400. | 50.27 | 86.66 | 50.97 | 49.97 |
1500. | 50.52 | 90.14 | 53.46 | 55.01 |
1600. | 50.73 | 93.40 | 55.86 | 60.07 |
1700. | 50.90 | 96.48 | 58.16 | 65.16 |
1800. | 51.05 | 99.40 | 60.37 | 70.25 |
1900. | 51.18 | 102.2 | 62.50 | 75.37 |
2000. | 51.29 | 104.8 | 64.55 | 80.49 |
2100. | 51.39 | 107.3 | 66.52 | 85.62 |
2200. | 51.47 | 109.7 | 68.43 | 90.77 |
2300. | 51.54 | 112.0 | 70.27 | 95.92 |
2400. | 51.61 | 114.2 | 72.06 | 101.1 |
2500. | 51.67 | 116.3 | 73.79 | 106.2 |
2600. | 51.72 | 118.3 | 75.46 | 111.4 |
2700. | 51.76 | 120.3 | 77.08 | 116.6 |
2800. | 51.80 | 122.1 | 78.66 | 121.8 |
2900. | 51.84 | 124.0 | 80.19 | 126.9 |
3000. | 51.88 | 125.7 | 81.68 | 132.1 |
Go To: Top, Solid Phase Heat Capacity (Shomate Equation), Notes / Error Report
Chase, 1998
Chase, M.W., Jr.,
NIST-JANAF Themochemical Tables, Fourth Edition,
J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [all data]
Go To: Top, Solid Phase Heat Capacity (Shomate Equation), References
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