2-(1-Cyclohexenyl)cyclohexanone
- Formula: C12H18O
- Molecular weight: 178.2707
- 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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Condensed phase thermochemistry data
Go To: Top, Phase change data, Mass spectrum (electron ionization), 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 | -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 |
Mass spectrum (electron ionization)
Go To: Top, Condensed phase thermochemistry data, Phase change 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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
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Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | Japan AIST/NIMC Database- Spectrum MS-NW-9677 |
NIST MS number | 236987 |
References
Go To: Top, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), 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]
Frinton Laboratories Inc., 1986
Frinton Laboratories Inc.,
Catalog Number 11, Frinton Laboratories Inc., Vineland, NJ, 1986, 99. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), References
- Symbols used in this document:
Tboil Boiling point ΔcH°liquid Enthalpy of combustion of liquid 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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