[1,1'-Bicyclohexyl]-2-one
- Formula: C12H20O
- Molecular weight: 180.2866
- IUPAC Standard InChIKey: UOBQDYFTAJKQAL-UHFFFAOYSA-N
- CAS Registry Number: 90-42-6
- 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-cyclohexyl-; Lavamenthe; 2-Cyclohexylcyclohexanone
- Information on this page:
- Other data available:
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, 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°gas | -324.0 ± 1.5 | kJ/mol | Ccb | Marachik, Kozyro, et al., 1992 | Hfusion=18.00±0.40 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°solid | -391.0 ± 1.4 | kJ/mol | Ccb | Marachik, Kozyro, et al., 1992 | Hfusion=18.00±0.40 kJ/mol |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°solid | -7189.49 ± 0.98 | kJ/mol | Ccb | Marachik, Kozyro, et al., 1992 | Hfusion=18.00±0.40 kJ/mol; Corresponding ΔfHºsolid = -390.93 kJ/mol (simple calculation by NIST; no Washburn corrections) |
Phase change data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry 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 as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Ttriple | 277. | K | N/A | Kozyro, Simirsky, et al., 1990 | Uncertainty assigned by TRC = 1. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 787. | K | N/A | Anselme and Teja, 1990 | Uncertainty assigned by TRC = 35. K; TRC |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
18.0 | 277. | Marachuk, Kozyro, et al., 1992 | AC |
Mass spectrum (electron ionization)
Go To: Top, Gas phase thermochemistry data, 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-3831 |
NIST MS number | 227979 |
References
Go To: Top, Gas phase thermochemistry data, 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]
Kozyro, Simirsky, et al., 1990
Kozyro, A.A.; Simirsky, V.V.; Marachuk, L.I.; Kabo, G.Ya.; Yursha, I.,
Thermodynamic properties of some products of condensation of cyclohexanone
in Vses. Konf. Term. Org. Soedin. 6th, Minsk, p 44, 1990. [all data]
Anselme and Teja, 1990
Anselme, M.J.; Teja, A.S.,
The critical properties of rapidly reacting substances,
AIChE Symp. Ser., 1990, 86, 279, 128-32. [all data]
Marachuk, Kozyro, et al., 1992
Marachuk, L.I.; Kozyro, A.A.; Simirskii, V.V.; Kabo, G.Ya.; Yursha, I.A.; Krasulin, A.P.; Sveruk, V.M.,
Thermodynamic properties of some byproducts of caprolactam synthesis,
Zh. Prikl. Khim. (S.-Peterburg), 1992, 65, 4, 875. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), References
- Symbols used in this document:
Tc Critical temperature Ttriple Triple point temperature ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions ΔfusH Enthalpy of fusion - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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