Water-d
- Formula: DHO
- Molecular weight: 19.0214
- IUPAC Standard InChI: InChI=1S/H2O/h1H2/i/hD
- IUPAC Standard InChIKey: XLYOFNOQVPJJNP-DYCDLGHISA-N
- CAS Registry Number: 14940-63-7
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
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- Other names: Water-D1; HDO
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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. to 1500. | 1500. to 6000. |
|---|---|---|
| A | 6.697001 | 11.12080 |
| B | 3.297601 | 1.495251 |
| C | 0.894373 | -0.243794 |
| D | -0.577462 | 0.015011 |
| E | 0.029468 | -2.596590 |
| F | -60.69560 | -66.52481 |
| G | 54.93850 | 55.87830 |
| H | -58.64510 | -58.64510 |
| Reference | Chase, 1998 | Chase, 1998 |
| Comment | Data last reviewed in June, 1977 | Data last reviewed in June, 1977 |
| 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. | 8.08 | 47.68 | 47.68 | -0.00 |
| 300. | 8.08 | 47.74 | 47.68 | 0.02 |
| 400. | 8.31 | 50.09 | 48.00 | 0.83 |
| 500. | 8.62 | 51.97 | 48.62 | 1.68 |
| 600. | 8.95 | 53.57 | 49.31 | 2.56 |
| 700. | 9.31 | 54.98 | 50.02 | 3.47 |
| 800. | 9.66 | 56.25 | 50.72 | 4.42 |
| 900. | 10.00 | 57.40 | 51.40 | 5.40 |
| 1000. | 10.34 | 58.48 | 52.06 | 6.42 |
| 1100. | 10.66 | 59.48 | 52.69 | 7.47 |
| 1200. | 10.96 | 60.42 | 53.29 | 8.55 |
| 1300. | 11.24 | 61.31 | 53.87 | 9.66 |
| 1400. | 11.50 | 62.15 | 54.44 | 10.80 |
| 1500. | 11.72 | 62.95 | 54.98 | 11.96 |
| Temperature (K) |
Cp (cal/mol*K) |
S° (cal/mol*K) |
-(G° - H°298.15)/T (cal/mol*K) |
H° - H°298.15 (kcal/mol) |
|---|---|---|---|---|
| 1500. | 11.71 | 62.95 | 54.98 | 11.96 |
| 1600. | 11.94 | 63.71 | 55.50 | 13.14 |
| 1700. | 12.13 | 64.44 | 56.00 | 14.35 |
| 1800. | 12.31 | 65.14 | 56.49 | 15.57 |
| 1900. | 12.47 | 65.81 | 56.97 | 16.81 |
| 2000. | 12.61 | 66.45 | 57.42 | 18.06 |
| 2100. | 12.74 | 67.07 | 57.87 | 19.33 |
| 2200. | 12.85 | 67.67 | 58.30 | 20.61 |
| 2300. | 12.96 | 68.24 | 58.72 | 21.90 |
| 2400. | 13.06 | 68.80 | 59.13 | 23.20 |
| 2500. | 13.15 | 69.33 | 59.53 | 24.51 |
| 2600. | 13.24 | 69.85 | 59.91 | 25.83 |
| 2700. | 13.32 | 70.35 | 60.29 | 27.16 |
| 2800. | 13.39 | 70.83 | 60.66 | 28.49 |
| 2900. | 13.46 | 71.31 | 61.02 | 29.84 |
| 3000. | 13.53 | 71.76 | 61.37 | 31.19 |
| 3100. | 13.59 | 72.21 | 61.71 | 32.54 |
| 3200. | 13.65 | 72.64 | 62.05 | 33.90 |
| 3300. | 13.70 | 73.06 | 62.37 | 35.27 |
| 3400. | 13.75 | 73.47 | 62.69 | 36.64 |
| 3500. | 13.80 | 73.87 | 63.01 | 38.02 |
| 3600. | 13.84 | 74.26 | 63.31 | 39.40 |
| 3700. | 13.89 | 74.64 | 63.62 | 40.79 |
| 3800. | 13.93 | 75.01 | 63.91 | 42.18 |
| 3900. | 13.96 | 75.37 | 64.20 | 43.58 |
| 4000. | 14.00 | 75.73 | 64.48 | 44.97 |
| 4100. | 14.03 | 76.07 | 64.76 | 46.38 |
| 4200. | 14.07 | 76.41 | 65.04 | 47.78 |
| 4300. | 14.10 | 76.74 | 65.30 | 49.19 |
| 4400. | 14.12 | 77.07 | 65.57 | 50.60 |
| 4500. | 14.15 | 77.39 | 65.83 | 52.01 |
| 4600. | 14.18 | 77.70 | 66.08 | 53.43 |
| 4700. | 14.20 | 78.00 | 66.33 | 54.85 |
| 4800. | 14.23 | 78.30 | 66.58 | 56.27 |
| 4900. | 14.25 | 78.59 | 66.82 | 57.70 |
| 5000. | 14.27 | 78.88 | 67.06 | 59.12 |
| 5100. | 14.30 | 79.17 | 67.29 | 60.55 |
| 5200. | 14.32 | 79.44 | 67.52 | 61.98 |
| 5300. | 14.34 | 79.72 | 67.75 | 63.41 |
| 5400. | 14.36 | 79.98 | 67.98 | 64.85 |
| 5500. | 14.38 | 80.25 | 68.20 | 66.29 |
| 5600. | 14.40 | 80.51 | 68.41 | 67.73 |
| 5700. | 14.42 | 80.76 | 68.63 | 69.17 |
| 5800. | 14.44 | 81.01 | 68.84 | 70.61 |
| 5900. | 14.46 | 81.26 | 69.05 | 72.06 |
| 6000. | 14.49 | 81.50 | 69.25 | 73.50 |
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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