Ethyne, dichloro-
- Formula: C2Cl2
- Molecular weight: 94.927
- IUPAC Standard InChI: InChI=1S/C2Cl2/c3-1-2-4
- IUPAC Standard InChIKey: ZMJOVJSTYLQINE-UHFFFAOYSA-N
- CAS Registry Number: 7572-29-4
- 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. - Species with the same structure:
- Other names: Acetylene, dichloro-; Dichloroacetylene; Dichloroethyne; ClC≡CCl; C2Cl2
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Gas phase thermochemistry data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
DRB - Donald R. Burgess, Jr.
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | 209.62 | kJ/mol | Review | Chase, 1998 | Data last reviewed in December, 1968 |
| ΔfH°gas | 227. ± 14. | kJ/mol | Review | Manion, 2002 | estimate based on a diverse set of quantum calculations; DRB |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas,1 bar | 272.03 | J/mol*K | Review | Chase, 1998 | Data last reviewed in December, 1968 |
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 (J/mol*K)
H° = standard enthalpy (kJ/mol)
S° = standard entropy (J/mol*K)
t = temperature (K) / 1000.
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| Temperature (K) | 298. to 1200. | 1200. to 6000. |
|---|---|---|
| A | 61.94956 | 84.88081 |
| B | 35.38417 | 1.284146 |
| C | -20.38968 | -0.249917 |
| D | 4.488973 | 0.016798 |
| E | -0.465554 | -5.244267 |
| F | 188.1846 | 171.9524 |
| G | 334.6924 | 357.8454 |
| H | 209.6184 | 209.6184 |
| Reference | Chase, 1998 | Chase, 1998 |
| Comment | Data last reviewed in December, 1968 | Data last reviewed in December, 1968 |
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]
Manion, 2002
Manion, J.A.,
Evaluated Enthalpies of Formation of the Stable Closed Shell C1 and C2 Chlorinated Hydrocarbons,
J. Phys. Chem. Ref. Data, 2002, 31, 1, 123-172, https://doi.org/10.1063/1.1420703
. [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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