Cyclohexane, bromo-

• Formula: C₆H₁₁Br
• Molecular weight: 163.056
• IUPAC Standard InChI: InChI=1S/C6H11Br/c7-6-4-2-1-3-5-6/h6H,1-5H2 Copy

  
• IUPAC Standard InChIKey: AQNQQHJNRPDOQV-UHFFFAOYSA-N Copy
• CAS Registry Number: 108-85-0
• 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.
• Other names: Bromocyclohexane; Cyclohexyl bromide; 1-Bromocyclohexane
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• Information on this page:
  • Condensed phase thermochemistry data
  • Phase change data
  • Gas phase ion energetics data
  • Mass spectrum (electron ionization)
  • References
  • Notes
• Other data available:
  • IR Spectrum
  • Gas Chromatography
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
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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: Eugene S. Domalski and Elizabeth D. Hearing

Constant pressure heat capacity of liquid

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:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos

Reduced pressure boiling point

Enthalpy of vaporization

Enthalpy of fusion

Gas phase ion energetics 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 evaluated as indicated in comments:
L - Sharon G. Lias

Data compiled as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Ionization energy determinations

Appearance energy determinations

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

References

Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics 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.

Shehatta, 1993
Shehatta, I., Heat capacity at constant pressure of some halogen compounds, Thermochim. Acta, 1993, 213, 1-10. [all data]

Farchan Laboratories, 1990
Farchan Laboratories, Research Chemicals Catalog, Farchan Laboratories, Gainesville, FL, 1990, 91. [all data]

Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]

American Tokyo Kasei, 1988
American Tokyo Kasei, TCI American Organic Chemical 88/89 Catalog, American Tokyo Kasei, Portland, OR, 1988, 1610. [all data]

Buckingham and Donaghy, 1982
Buckingham, J.; Donaghy, S.M., Dictionary of Organic Compounds: Fifth Edition, Chapman and Hall, New York, 1982, 1. [all data]

Fortey, 1898
Fortey, E.C., Hexamethylene from American and Galician Petroleum, J. Chem. Soc., 1898, 73, 932-49. [all data]

White and Bishop, 1940
White, A.H.; Bishop, W.S., Dielectric Evidence of Molecular Rotation in the Crystals of Certain Non-aromatic Compounds, J. Am. Chem. Soc., 1940, 62, 8-16. [all data]

Kobashi and Oguni, 1995
Kobashi, K.; Oguni, M., Heat capacities of chlorocyclohexane and bromocyclohexane between the temperatures 10 K and 300 K, and phase transitions in the crystalline state for chlorocyclohexane, J. Chem. Thermodyn., 1995, 27, 979-90. [all data]

Artigas, Lafuente, et al., 1997
Artigas, Héctor; Lafuente, Carlos; Cea, Pilar; Royo, Félix M.; Urieta, José S., Vapor-Liquid Equilibria for the Binary Systems of 1-Butanol with Some Halohydrocarbons at 40.0 and 101.3 kPa, J. Chem. Eng. Data, 1997, 42, 1, 132-136, https://doi.org/10.1021/je9602069 . [all data]

Kobashi and Oguni, 1995, 2
Kobashi, Kazuhisa; Oguni, Masaharu, Heat capacities of chlorocyclohexane and bromocyclohexane between the temperatures 10 K and 300 K, and phase transitions in the crystalline state for chlorocyclohexane, The Journal of Chemical Thermodynamics, 1995, 27, 9, 979-990, https://doi.org/10.1006/jcht.1995.0103 . [all data]

Sergeev, Akopyan, et al., 1973
Sergeev, Yu.L.; Akopyan, M.E.; Vilesov, F.I.; Chizhov, Yu.V., Photoionization processes in gaseous cyclohexane, and chloro- and bromocyclohexane, High Energy Chem., 1973, 7, 369, In original 418. [all data]

Botter, Menes, et al., 1973
Botter, R.; Menes, F.; Gounelle, Y.; Pechine, J.M.; Solgadi, D., The ionization potentials of geometrical isomers: the cis and trans 2-subststituted cyclopentyl and cyclohexyl bromides, Int. J. Mass Spectrom. Ion Phys., 1973, 12, 188. [all data]

Hashmall and Heilbronner, 1970
Hashmall, J.A.; Heilbronner, E., n-Ionization potentials of alkyl bromides, Angew. Chem. Intern. Ed., 1970, 9, 305. [all data]

Notes

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• Symbols used in this document:
  

  AE	Appearance energy
  Cp,liquid	Constant pressure heat capacity of liquid
  IE (evaluated)	Recommended ionization energy
  Tboil	Boiling point
  Tfus	Fusion (melting) point
  Ttriple	Triple point temperature
  ΔfusH	Enthalpy of fusion
  ΔvapH	Enthalpy of vaporization

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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