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
The 3d structure may be viewed using Java or Javascript. - Isotopologues:
- Other names: Water-D1; HDO
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Gas phase thermochemistry data
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.
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -58.645 | kcal/mol | Review | Chase, 1998 | Data last reviewed in June, 1977 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas,1 bar | 47.686 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in June, 1977 |
Gas Phase Heat Capacity (Shomate Equation)
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 |
References
Go To: Top, Gas phase thermochemistry data, 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 thermochemistry data, References
- Symbols used in this document:
S°gas,1 bar Entropy of gas at standard conditions (1 bar) ΔfH°gas Enthalpy of formation of gas at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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