Cyclohexene, 1-ethyl-

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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: Donald R. Burgess, Jr.

Quantity Value Units Method Reference Comment
Δfgas-63.6kJ/molN/ALabbauf and Rossini, 1961Value computed using ΔfHliquid° value of -106.8±1 kj/mol from Labbauf and Rossini, 1961 and ΔvapH° value of 43.22 kj/mol from missing citation.

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
Δfliquid-106.8 ± 1.0kJ/molCcbLabbauf and Rossini, 1961 
Quantity Value Units Method Reference Comment
Δcliquid-5042.18 ± 0.96kJ/molCcbLabbauf and Rossini, 1961Corresponding Δfliquid = -106.7 kJ/mol (simple calculation by NIST; no Washburn corrections)

IR Spectrum

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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

Gas Phase Spectrum

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IR spectrum
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Additional Data

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Owner NIST Standard Reference Data Program
Collection (C) 2018 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin NIST Mass Spectrometry Data Center
State gas
Instrument HP-GC/MS/IRD

This IR spectrum is from the NIST/EPA Gas-Phase Infrared Database .


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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Mass spectrum
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Additional Data

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Due to licensing restrictions, this spectrum cannot be downloaded.

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 B. Derendyaev, Novosibirsk Institute of Organic Chemistry
NIST MS number 139463

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


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
PackedSqualane60.859.Bogoslovsky, Anvaer, et al., 1978 
PackedSqualane70.861.Bogoslovsky, Anvaer, et al., 1978 
PackedSqualane80.864.Bogoslovsky, Anvaer, et al., 1978 
CapillarySqualane100.867.Rang, Orav, et al., 1977Nitrogen or helium; Column length: 100. m; Column diameter: 0.25 mm
CapillarySqualane100.860.Lulova, Leont'eva, et al., 1976He; Column length: 120. m; Column diameter: 0.25 mm
CapillaryApiezon L100.895.Eisen, Orav, et al., 1972Column length: 45. m; Column diameter: 0.25 mm
CapillarySqualane60.859.4Eisen, Orav, et al., 1972Column length: 80. m; Column diameter: 0.25 mm
CapillarySqualane80.864.1Eisen, Orav, et al., 1972Column length: 80. m; Column diameter: 0.25 mm
CapillarySqualane60.859.Orav and Eisen, 1972Column length: 80. m; Column diameter: 0.25 mm
CapillarySqualane80.864.Orav and Eisen, 1972Column length: 80. m; Column diameter: 0.25 mm
CapillarySqualane70.861.Schomburg, 1966 

Kovats' RI, polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillaryPEG 4000100.1023.Rang, Orav, et al., 1988 
CapillaryPEG 400060.1005.Rang, Orav, et al., 1988 
CapillaryPEG 400080.1014.Rang, Orav, et al., 1988 
CapillaryPEG 4000100.1023.Rang, Orav, et al., 1977Nitrogen or Helium; Column length: 45. m; Column diameter: 0.25 mm
CapillaryPolyethylene Glycol 4000100.1022.7Eisen, Orav, et al., 1972Column length: 80. m; Column diameter: 0.25 mm
CapillaryPolyethylene Glycol 400060.1005.3Eisen, Orav, et al., 1972Column length: 80. m; Column diameter: 0.25 mm
CapillaryPolyethylene Glycol 400080.1013.9Eisen, Orav, et al., 1972Column length: 80. m; Column diameter: 0.25 mm
CapillaryPEG 4000100.1022.7Orav and Eisen, 1972Column length: 80. m; Column diameter: 0.25 mm
CapillaryPEG 400060.1005.3Orav and Eisen, 1972Column length: 80. m; Column diameter: 0.25 mm
CapillaryPEG 400080.1013.9Orav and Eisen, 1972Column length: 80. m; Column diameter: 0.25 mm

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryOV-101866.Chupalov and Zenkevich, 1996N2, 3. K/min; Column length: 52. m; Column diameter: 0.26 mm; Tstart: 50. C; Tend: 220. C
CapillarySP-2100860.Alencar, Alves, et al., 1983He, 4. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tstart: 40. C; Tend: 250. C

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

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Column type Active phase I Reference Comment
CapillarySqualane861.Chen, 2008Program: not specified

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Labbauf and Rossini, 1961
Labbauf, A.; Rossini, F.D., Heats of combustion, formation, and hydrogenation of 14 selected cyclomonoolefin hydrocarbons, J. Phys. Chem., 1961, 65, 476-480. [all data]

Bogoslovsky, Anvaer, et al., 1978
Bogoslovsky, Yu.N.; Anvaer, B.I.; Vigdergauz, M.S., Chromatographic constants in gas chromatography (in Russian), Standards Publ. House, Moscow, 1978, 192. [all data]

Rang, Orav, et al., 1977
Rang, S.; Orav, A.; Kuningas, K.; Eisen, O., Capillary Gas Chromatography of Monosubstituted Cyclopentenes and Cyclohexenes, Chromatographia, 1977, 10, 3, 115-122, https://doi.org/10.1007/BF02297862 . [all data]

Lulova, Leont'eva, et al., 1976
Lulova, N.I.; Leont'eva, S.A.; Timofeeva, A.N., Gas-chromatographic method of determination of individual hydrocarbons in catalytic cracking gasolines in Proceedings of All-Union Research Institute on Oil Processes. Vol.18, All-Union Research Institute on Oil Processes, Moscow, 1976, 30-53. [all data]

Eisen, Orav, et al., 1972
Eisen, O.; Orav, A.; Rang, S., Identifizierung von Normal-Alkenen, Cyclopentenen und -Hexenen mittels Kapillar-Gas-Chromatographie. Identification des alcènes, cyclopentènes et -hexènes à l'aide de la chromatogrpahie en phase gazeuse sur colonne capillaire, Chromatographia, 1972, 5, 11, 229-239, https://doi.org/10.1007/BF02270600 . [all data]

Orav and Eisen, 1972
Orav, A.; Eisen, O., The retention indexes for alkenes, alkynes and cyclenes on capillary columns, Izv. Akad. Nauk Est. SSR, Khim. Geol., 1972, 21, 1, 39-47. [all data]

Schomburg, 1966
Schomburg, G., Gaschromatographische Retentionsdaten und struktur chemischer verbindungen. III. Alkylverzweigte und ungesättigte cyclische Kohlenwasserstoffe, J. Chromatogr., 1966, 23, 18-41, https://doi.org/10.1016/S0021-9673(01)98653-4 . [all data]

Rang, Orav, et al., 1988
Rang, S.A.; Orav, A.E.; Kuningas, K.R.; Meister, A.E.; Strense, T.V.; Eisen, O.G., Gas-Chromatographic Characteristics of unsaturated hydrocarbons, Academy of Sciences of Estonia SSR, Tallinn, Estonia SSR, 1988, 208. [all data]

Chupalov and Zenkevich, 1996
Chupalov, A.A.; Zenkevich, I.G., Chromatographic Characterization of Structural Transformations of Organic Compounds in Diels-Alder Reaction. Aliphatic Dienes and Dienophyls, Zh. Org. Khim., 1996, 32, 6, 675-684. [all data]

Alencar, Alves, et al., 1983
Alencar, J.W.; Alves, P.B.; Craveiro, A.A., Pyrolysis of tropical vegetable oils, J. Agric. Food Chem., 1983, 31, 6, 1268-1270, https://doi.org/10.1021/jf00120a031 . [all data]

Chen, 2008
Chen, H.-F., Quantitative prediction of gas chromatography retention indices with support vector machines, radial basis neutral networks and multiple linear regression, Anal. Chim. Acta, 2008, 609, 1, 24-36, https://doi.org/10.1016/j.aca.2008.01.003 . [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References