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Cyclohexane, bromo-

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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

Cp,liquid (J/mol*K) Temperature (K) Reference
182.1298.15Shehatta, 1993

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, Kenneth Kroenlein director
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tboil439. - 440.KN/AFarchan Laboratories, 1990BS
Tboil439.4KN/AWeast and Grasselli, 1989BS
Tboil438.KN/AAmerican Tokyo Kasei, 1988BS
Tboil436. - 438.KN/ABuckingham and Donaghy, 1982BS
Tboil436.KN/AFortey, 1898Uncertainty assigned by TRC = 4. K; TRC
Quantity Value Units Method Reference Comment
Tfus206.KN/AWhite and Bishop, 1940Uncertainty assigned by TRC = 6. K; TRC
Quantity Value Units Method Reference Comment
Ttriple216.87KN/AKobashi and Oguni, 1995Uncertainty assigned by TRC = 0.05 K; measured in adiabatic calorimeter, corrected for vaporization; TRC

Reduced pressure boiling point

Tboil (K) Pressure (bar) Reference Comment
345.0.043Buckingham and Donaghy, 1982BS

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Reference Comment
42.8362.Artigas, Lafuente, et al., 1997Based on data from 347. - 439. K.; AC

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Reference Comment
10.79216.9Kobashi and Oguni, 1995, 2AC

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


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

Quantity Value Units Method Reference Comment
IE (evaluated)9.87 ± 0.02eVN/AN/AL

Ionization energy determinations

IE (eV) Method Reference Comment
9.85 ± 0.01PISergeev, Akopyan, et al., 1973LLK
9.90 ± 0.02PEBotter, Menes, et al., 1973LLK
9.875PEHashmall and Heilbronner, 1970RDSH
10.00PESergeev, Akopyan, et al., 1973Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C3H5+12.52 ± 0.05?PISergeev, Akopyan, et al., 1973LLK
C4H7+11.54 ± 0.02?PISergeev, Akopyan, et al., 1973LLK
C6H11+9.85 ± 0.05?PISergeev, Akopyan, et al., 1973LLK

IR Spectrum

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Data compiled by: Coblentz Society, Inc.

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


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

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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-3194
NIST MS number 227791

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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

Kovats' RI, non-polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
PackedApolane150.1009.Evans and Haken, 1987He, Chromosorb G AW DCMS; Column length: 3.7 m
PackedApolane150.1009.Haken and Vernon, 1986Chromosorb G AW DCMS; Column length: 3.7 m
PackedApiezon L130.1023.Wehrli and Kováts, 1959Celite; Column length: 2.25 m

Kovats' RI, polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
PackedCarbowax 20M150.1288.Haken and Vernon, 1986Chromosorb G AW DCMS; Column length: 3.7 m; Column diameter: 6.4 mm

Van Den Dool and Kratz RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillarySE-54984.Weber, 198625. m/0.31 mm/0.17 «mu»m, H2, 2. K/min; Tstart: 35. C
PackedSE-30969.Buchman, Cao, et al., 1984He, Chromosorb AW, 40. C @ 10. min, 10. K/min, 210. C @ 30. min; Column length: 3.05 m
PackedSE-30969.Buchman, Cao, et al., 1984He, Chromosorb AW, 40. C @ 10. min, 10. K/min, 210. C @ 30. min; Column length: 3.05 m

Van Den Dool and Kratz RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
PackedCarbowax 20M1303.Buchman, Cao, et al., 1984He, Supelcoport, 40. C @ 10. min, 10. K/min, 210. C @ 30. min; Column length: 3.05 m
PackedCarbowax 20M1303.Buchman, Cao, et al., 1984He, Supelcoport, 40. C @ 10. min, 10. K/min, 210. C @ 30. min; Column length: 3.05 m

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

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Column type Active phase I Reference Comment
CapillaryMethyl Silicone1023.N/AProgram: not specified
PackedSE-30969.Buchman, Cao, et al., 1984He, Chromosorb AW; Column length: 3.05 m; Program: not specified
CapillaryOV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.969.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified
CapillaryOV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.975.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified

References

Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, NIST Free Links, 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]

Evans and Haken, 1987
Evans, M.B.; Haken, J.K., Dispersion and selectivity indices of the halogenated derivatives of cyclohexane, benzene and anisole, J. Chromatogr., 1987, 389, 240-244, https://doi.org/10.1016/S0021-9673(01)94428-0 . [all data]

Haken and Vernon, 1986
Haken, J.K.; Vernon, F., Gas chromatography of halogenated derivatives of cyclohexane, benzene and anisole, J. Chromatogr., 1986, 361, 57-61, https://doi.org/10.1016/S0021-9673(01)86893-X . [all data]

Wehrli and Kováts, 1959
Wehrli, A.; Kováts, E., Gas-chromatographische Charakterisierung ogranischer Verbindungen. Teil 3: Berechnung der Retentionsindices aliphatischer, alicyclischer und aromatischer Verbindungen, Helv. Chim. Acta, 1959, 7, 7, 2709-2736, https://doi.org/10.1002/hlca.19590420745 . [all data]

Weber, 1986
Weber, L., Utilization of the Sadtler standard RI system in micropollution analyses, J. Hi. Res. Chromatogr. Chromatogr. Comm., 1986, 9, 8, 446-451, https://doi.org/10.1002/jhrc.1240090806 . [all data]

Buchman, Cao, et al., 1984
Buchman, O.; Cao, G.-Y.; Peng, C.T., Structure assignment by retention index in gas-liquid radiochromatography of substituted cyclohexenes, J. Chromatogr., 1984, 312, 75-90, https://doi.org/10.1016/S0021-9673(01)92765-7 . [all data]

Waggott and Davies, 1984
Waggott, A.; Davies, I.W., Identification of organic pollutants using linear temperature programmed retention indices (LTPRIs) - Part II, 1984, retrieved from http://dwi.defra.gov.uk/research/completed-research/reports/dwi0383.pdf. [all data]


Notes

Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, NIST Free Links, References