2-(1-Cyclohexenyl)cyclohexanone
- Formula: C12H18O
- Molecular weight: 178.2707
- IUPAC Standard InChI: InChI=1S/C12H18O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h6,11H,1-5,7-9H2
- IUPAC Standard InChIKey: GVNVAWHJIKLAGL-UHFFFAOYSA-N
- CAS Registry Number: 1502-22-3
- Chemical structure:
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- Other names: Cyclohexanone, 2-(1-cyclohexen-1-yl)-; CHCH; 2-(Cyclohex-1-enyl)cyclohexanone; 2-(1-Cyclohexen-1-yl)cyclohexanone; 2-Cyclohexenylcyclohexanone; 2-(1-cyclohexen-1-yl)cyclohexan-1-one
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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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -52.47 ± 0.43 | kcal/mol | Ccb | Marachik, Kozyro, et al., 1992 | Hfusion=17.26±0.09 kJ/mol |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°liquid | -69.02 ± 0.42 | kcal/mol | Ccb | Marachik, Kozyro, et al., 1992 | Hfusion=17.26±0.09 kJ/mol |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -1674.44 ± 0.18 | kcal/mol | Ccb | Marachik, Kozyro, et al., 1992 | Hfusion=17.26±0.09 kJ/mol; Corresponding ΔfHºliquid = -69.006 kcal/mol (simple calculation by NIST; no Washburn corrections) |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Marachik, Kozyro, et al., 1992
Marachik, L.I.; Kozyro, A.A.; Simirskii, V.V.; Kabo, G.Ya.; Yursha, I.A.; Krasulin, A.P.; Sevruk, V.M.,
Thermodynamic characteristics of by-products from caprolactam synthesis,
J. Appl. Chem. USSR, 1992, 65, 710-715. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, References
- Symbols used in this document:
ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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