[1,1'-Bicyclohexyl]-2-one

• Formula: C₁₂H₂₀O
• Molecular weight: 180.2866
• IUPAC Standard InChI: InChI=1S/C12H20O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h10-11H,1-9H2 Copy

  
• IUPAC Standard InChIKey: UOBQDYFTAJKQAL-UHFFFAOYSA-N Copy
• 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:
  • 2-hexylcyclohexan-1-one
• Other names: Cyclohexanone, 2-cyclohexyl-; Lavamenthe; 2-Cyclohexylcyclohexanone
• Information on this page:
  • Gas phase thermochemistry data
  • Condensed phase thermochemistry data
  • Phase change data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • Gas Chromatography
  • References
  • Notes
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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

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

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 as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos

Enthalpy of fusion

IR Spectrum

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Data compiled by: Coblentz Society, Inc.

• Not specified, most likely a prism, grating, or hybrid spectrometer.; (NO SPECTRUM, ONLY SCANNED IMAGE IS AVAILABLE)

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

• gas

Mass spectrum (electron ionization)

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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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Additional Data

Gas Chromatography

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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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Normal alkane RI, non-polar column, custom temperature program

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Normal alkane RI, polar column, custom temperature program

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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]

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]

Vinogradov, 2004
Vinogradov, B.A., Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]

Notes

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• 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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