trans-1-Ethyl-3-methylcyclohexane

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Reaction 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

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Individual Reactions

cis-1-Ethyl-3-methyl-cyclohexane = trans-1-Ethyl-3-methylcyclohexane

By formula: C9H18 = C9H18

Quantity Value Units Method Reference Comment
Δr-1.7 ± 0.1kcal/molEqkMann, 1968gas phase; At 593K

3Hydrogen + Benzene, 1-ethyl-3-methyl- = trans-1-Ethyl-3-methylcyclohexane

By formula: 3H2 + C9H12 = C9H18

Quantity Value Units Method Reference Comment
Δr-47.7kcal/molEqkMiki, 1975gas phase; GC

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
CapillaryVacuum Grease Oil (VM-4)35.902.Sidorov, Petrova, et al., 1972 
CapillaryVacuum Grease Oil (VM-4)45.906.Sidorov, Petrova, et al., 1972 
CapillaryVacuum Grease Oil (VM-4)50.908.Sidorov, Petrova, et al., 1972 
CapillaryVacuum Grease Oil (VM-4)58.910.Sidorov, Petrova, et al., 1972 
CapillaryVacuum Grease Oil (VM-4)68.914.Sidorov, Petrova, et al., 1972 
PackedVacuum Grease Oil (VM-4)35.902.Sidorov, Ivanova, et al., 1971 

Kovats' RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryApiezon L926.Louis, 1971N2, 1. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 60. C

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryPolydimethyl siloxane: CP-Sil 5 CB911.Bramston-Cook, 201360. m/0.25 mm/1.0 μm, Helium, 45. C @ 1.45 min, 3.6 K/min, 210. C @ 2.72 min

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.

Mann, 1968
Mann, G., Conformation and physical data of alkanes and cyclanes. IV. Conformation energy of gauche-anticonformers, Tetrahedron, 1968, 24, 6495-65. [all data]

Miki, 1975
Miki, Y., The thermodynamic properties of C9H18 naphthenes. I. The determination of the equilibrium constants of the hydrogenation of propyl- and isopropylbenzene and ethyltoluenes, Bull. Chem. Soc. Jpn., 1975, 48, 201-208. [all data]

Sidorov, Petrova, et al., 1972
Sidorov, R.I.; Petrova, V.I.; Ivanova, M.P., Qualitative analysis of wide-boiling fraction C5-C10 with capillary chromatography in Processes in chromatographic columns. Vol.17, 1972, 14-25. [all data]

Sidorov, Ivanova, et al., 1971
Sidorov, R.I.; Ivanova, M.P.; Petrova, V.I., Temperature dependence of cycloalkane's retention and its using in identification of structure, Gazovaya Khromatografiya, 1971, 15, 18-26. [all data]

Louis, 1971
Louis, R., Kovats-index-tafeln zur gaschromatographischen analyse von kohlenwasserstoffgemischen, Erdoel Kohle Erdgas Petrochem., 1971, 24, 2, 88-94. [all data]

Bramston-Cook, 2013
Bramston-Cook, R., Kovats indices for C2-C13 hydrocarbons and selected oxygenated/halocarbons with 100 % dimethylpolysiloxane columns, 2013, retrieved from http://lotusinstruments.com/monographs/List .... [all data]


Notes

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