cis-1,3-hexadiene

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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

Quantity Value Units Method Reference Comment
Δfgas59. ± 2.kJ/molChydFang and Rogers, 1992 

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 by: Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director

Quantity Value Units Method Reference Comment
Tboil346.23KN/AAnonymous, 1963Uncertainty assigned by TRC = 0.5 K

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:


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

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

2Hydrogen + cis-1,3-hexadiene = n-Hexane

By formula: 2H2 + C6H10 = C6H14

Quantity Value Units Method Reference Comment
Δr-226. ± 1.kJ/molChydFang and Rogers, 1992liquid phase; solvent: Cyclohexane

cis-1,3-hexadiene = (E)-1,3-Hexadiene

By formula: C6H10 = C6H10

Quantity Value Units Method Reference Comment
Δr-4.52kJ/molEqkPetrova-Kuminskaya, Roganov, et al., 1984gas phase; At 458 K, see Petrova-Kuminskaya, Baranov, et al., 1983

cis-1,3-hexadiene = 2,4-Hexadiene, (E,Z)-

By formula: C6H10 = C6H10

Quantity Value Units Method Reference Comment
Δr-14.6kJ/molEqkBuechele, Weitz, et al., 1984gas phase

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 compiled by: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

View reactions leading to C6H10+ (ion structure unspecified)

Ionization energy determinations

IE (eV) Method Reference
8.54EILossing and Traeger, 1975

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C5H7+8.54CH3EILossing and Traeger, 1975, 2 
C5H7+9.73CH3EILossing and Traeger, 1975 

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

View large format table.

Column type Active phase Temperature (C) I Reference Comment
CapillarySqualane50.612.2Bajus, Veselý, et al., 1979Column length: 100. m; Column diameter: 0.25 mm
CapillarySqualane70.612.1Bajus, Veselý, et al., 1979Column length: 100. m; Column diameter: 0.25 mm
CapillarySqualane50.622.2Bajus, Veselý, et al., 1979, 2Column length: 100. m; Column diameter: 0.25 mm
PackedSqualane27.622.Hively and Hinton, 1968He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
PackedSqualane49.622.Hively and Hinton, 1968He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
PackedSqualane67.622.Hively and Hinton, 1968He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
PackedSqualane86.621.Hively and Hinton, 1968He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm

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.

Fang and Rogers, 1992
Fang, W.; Rogers, D.W., Enthalpy of hydrogenation of the hexadienes and cis- and trans-1,3,5-hexatriene, J. Org. Chem., 1992, 57, 2294-2297. [all data]

Anonymous, 1963
Anonymous, R., , E. I. Du Pont, 1963. [all data]

Petrova-Kuminskaya, Roganov, et al., 1984
Petrova-Kuminskaya, S.V.; Roganov, G.N.; Kabo, G.Ya., Enthalpies of formation and isomerization of alkadienes, Probl. Kalorim. Khim. Termodin., Dokl. Vses. Konf., 10th, 1984, 1, 234-236. [all data]

Petrova-Kuminskaya, Baranov, et al., 1983
Petrova-Kuminskaya, S.V.; Baranov, O.M.; Roganov, G.N.; Kabo, G.Ya., Equilibrium and thermodynamics of the isomerization of hexadienes, Neftekhimiya, 1983, 23, 489-494. [all data]

Buechele, Weitz, et al., 1984
Buechele, J.L.; Weitz, E.; Lewis, F.D., Laser-induced infrared multiphoton isomerization reactions of 2,4- and 1,3-hexadienes, J. Phys. Chem., 1984, 88, 868-876. [all data]

Lossing and Traeger, 1975
Lossing, F.P.; Traeger, J.C., Stabilization in cyclopentadienyl, cyclopentenyl, and cyclopentyl cations, J. Am. Chem. Soc., 1975, 97, 1579. [all data]

Lossing and Traeger, 1975, 2
Lossing, F.P.; Traeger, J.C., Free radicals by mass spectrometry XLVI. Heats of formation of C5H7 and C5H9 radicals and cations., J. Am. Chem. Soc., 1975, 19, 9. [all data]

Bajus, Veselý, et al., 1979
Bajus, M.; Veselý, V.; Leclercq, P.A.; Rijks, J.A., Steam cracking of hydrocarbons. 2. Pyrolysis of methylcyclohexane, Ind. Eng. Chem. Prod. Res. Dev., 1979, 18, 2, 135-142, https://doi.org/10.1021/i360070a012 . [all data]

Bajus, Veselý, et al., 1979, 2
Bajus, M.; Veselý, V.; Leclercq, P.A.; Rijks, J.A., Steam cracking of hydrocarbons. 1. Pyrolysis of heptane, Ind. Eng. Chem. Prod. Res. Dev., 1979, 18, 1, 30-37, https://doi.org/10.1021/i360069a007 . [all data]

Hively and Hinton, 1968
Hively, R.A.; Hinton, R.E., Variation of the retention index with temperature on squalane substrates, J. Gas Chromatogr., 1968, 6, 4, 203-217, https://doi.org/10.1093/chromsci/6.4.203 . [all data]


Notes

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