Isocyanic acid
- Formula: CHNO
- Molecular weight: 43.0247
- IUPAC Standard InChI: InChI=1S/CHNO/c2-1-3/h2H
- IUPAC Standard InChIKey: OWIKHYCFFJSOEH-UHFFFAOYSA-N
- CAS Registry Number: 75-13-8
- Chemical structure:
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Gas Phase Heat Capacity (Shomate Equation)
Go To: Top, References, Notes
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. - 1200. | 1200. - 6000. |
|---|---|---|
| A | 7.823681 | 17.11230 |
| B | 15.25210 | 1.413011 |
| C | -9.192500 | -0.268365 |
| D | 2.325060 | 0.017727 |
| E | -0.075905 | -2.345500 |
| F | -27.48891 | -34.50791 |
| G | 61.81840 | 70.84610 |
| H | -24.30000 | -24.30000 |
| Reference | Chase, 1998 | Chase, 1998 |
| Comment | Data last reviewed in December, 1970 | Data last reviewed in December, 1970 |
| Temperature (K) |
Cp (cal/mol*K) |
S° (cal/mol*K) |
-(G° - H°298.15)/T (cal/mol*K) |
H° - H°298.15 (kcal/mol) |
|---|---|---|---|---|
| 298. | 10.76 | 56.93 | 56.94 | -0.00 |
| 300. | 10.79 | 57.00 | 56.94 | 0.02 |
| 400. | 12.13 | 60.30 | 57.38 | 1.17 |
| 500. | 13.14 | 63.12 | 58.25 | 2.43 |
| 600. | 13.96 | 65.59 | 59.27 | 3.79 |
| 700. | 14.64 | 67.80 | 60.34 | 5.22 |
| 800. | 15.21 | 69.79 | 61.40 | 6.71 |
| 900. | 15.71 | 71.61 | 62.43 | 8.26 |
| 1000. | 16.13 | 73.29 | 63.43 | 9.85 |
| 1100. | 16.51 | 74.84 | 64.40 | 11.49 |
| 1200. | 16.85 | 76.29 | 65.33 | 13.15 |
| Temperature (K) |
Cp (cal/mol*K) |
S° (cal/mol*K) |
-(G° - H°298.15)/T (cal/mol*K) |
H° - H°298.15 (kcal/mol) |
|---|---|---|---|---|
| 1200. | 16.82 | 76.29 | 65.33 | 13.15 |
| 1300. | 17.15 | 77.65 | 66.23 | 14.85 |
| 1400. | 17.42 | 78.93 | 67.09 | 16.58 |
| 1500. | 17.65 | 80.14 | 67.92 | 18.33 |
| 1600. | 17.84 | 81.29 | 68.72 | 20.11 |
| 1700. | 18.01 | 82.38 | 69.49 | 21.90 |
| 1800. | 18.17 | 83.41 | 70.24 | 23.71 |
| 1900. | 18.30 | 84.40 | 70.96 | 25.53 |
| 2000. | 18.42 | 85.34 | 71.65 | 27.37 |
| 2100. | 18.53 | 86.24 | 72.33 | 29.22 |
| 2200. | 18.63 | 87.10 | 72.98 | 31.08 |
| 2300. | 18.71 | 87.93 | 73.61 | 32.94 |
| 2400. | 18.80 | 88.73 | 74.22 | 34.82 |
| 2500. | 18.87 | 89.50 | 74.82 | 36.70 |
| 2600. | 18.94 | 90.24 | 75.40 | 38.59 |
| 2700. | 19.00 | 90.96 | 75.96 | 40.49 |
| 2800. | 19.05 | 91.65 | 76.51 | 42.39 |
| 2900. | 19.11 | 92.32 | 77.04 | 44.30 |
| 3000. | 19.15 | 92.97 | 77.56 | 46.21 |
| 3100. | 19.20 | 93.60 | 78.07 | 48.13 |
| 3200. | 19.24 | 94.21 | 78.56 | 50.05 |
| 3300. | 19.27 | 94.80 | 79.05 | 51.98 |
| 3400. | 19.31 | 95.37 | 79.52 | 53.91 |
| 3500. | 19.34 | 95.93 | 79.98 | 55.84 |
| 3600. | 19.37 | 96.48 | 80.43 | 57.77 |
| 3700. | 19.39 | 97.01 | 80.87 | 59.71 |
| 3800. | 19.42 | 97.53 | 81.30 | 61.65 |
| 3900. | 19.44 | 98.03 | 81.73 | 63.60 |
| 4000. | 19.46 | 98.53 | 82.14 | 65.54 |
| 4100. | 19.48 | 99.01 | 82.55 | 67.49 |
| 4200. | 19.49 | 99.48 | 82.94 | 69.44 |
| 4300. | 19.51 | 99.93 | 83.33 | 71.39 |
| 4400. | 19.52 | 100.4 | 83.72 | 73.34 |
| 4500. | 19.54 | 100.8 | 84.09 | 75.29 |
| 4600. | 19.55 | 101.3 | 84.46 | 77.25 |
| 4700. | 19.56 | 101.7 | 84.82 | 79.20 |
| 4800. | 19.57 | 102.1 | 85.18 | 81.16 |
| 4900. | 19.58 | 102.5 | 85.53 | 83.11 |
| 5000. | 19.59 | 102.9 | 85.87 | 85.07 |
| 5100. | 19.60 | 103.3 | 86.21 | 87.03 |
| 5200. | 19.61 | 103.7 | 86.54 | 88.99 |
| 5300. | 19.62 | 104.0 | 86.86 | 90.95 |
| 5400. | 19.63 | 104.4 | 87.19 | 92.92 |
| 5500. | 19.64 | 104.8 | 87.50 | 94.88 |
| 5600. | 19.65 | 105.1 | 87.81 | 96.84 |
| 5700. | 19.66 | 105.5 | 88.12 | 98.81 |
| 5800. | 19.67 | 105.8 | 88.42 | 100.8 |
| 5900. | 19.68 | 106.1 | 88.72 | 102.7 |
| 6000. | 19.69 | 106.5 | 89.01 | 104.7 |
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
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