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:
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: 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 | -219.5 ± 1.8 | kJ/mol | Ccb | Marachik, Kozyro, et al., 1992 | Hfusion=17.26±0.09 kJ/mol |
Condensed 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°liquid | -288.8 ± 1.8 | kJ/mol | Ccb | Marachik, Kozyro, et al., 1992 | Hfusion=17.26±0.09 kJ/mol |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -7005.87 ± 0.74 | kJ/mol | Ccb | Marachik, Kozyro, et al., 1992 | Hfusion=17.26±0.09 kJ/mol; Corresponding ΔfHºliquid = -288.72 kJ/mol (simple calculation by NIST; no Washburn corrections) |
Phase change 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: Robert L. Brown and Stephen E. Stein
Reduced pressure boiling point
| Tboil (K) | Pressure (bar) | Reference |
|---|---|---|
| 415. to 417. | 0.020 | Frinton Laboratories Inc., 1986 |
References
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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]
Frinton Laboratories Inc., 1986
Frinton Laboratories Inc.,
Catalog Number 11, Frinton Laboratories Inc., Vineland, NJ, 1986, 99. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, References
- Symbols used in this document:
Tboil Boiling point 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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