(E)-1,3-Hexadiene


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
Tboil346.4KN/AAnonymous, 1963Uncertainty assigned by TRC = 0.6 K
Quantity Value Units Method Reference Comment
Tfus170.8KN/AAnonymous, 1963Uncertainty assigned by TRC = 0.6 K

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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

2Hydrogen + (E)-1,3-Hexadiene = n-Hexane

By formula: 2H2 + C6H10 = C6H14

Quantity Value Units Method Reference Comment
ΔrH°-221. ± 1.kJ/molChydFang and Rogers, 1992liquid phase; solvent: Cyclohexane

(E)-1,3-Hexadiene = 2,4-Hexadiene, (E,E)-

By formula: C6H10 = C6H10

Quantity Value Units Method Reference Comment
ΔrH°-12.80kJ/molEqkPetrova-Kuminskaya, Roganov, et al., 1984gas phase; At 458 K, see Petrova-Kuminskaya, Baranov, et al., 1983

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

By formula: C6H10 = C6H10

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

(E)-1,3-Hexadiene = 4-Methyl-1,3-pentadiene

By formula: C6H10 = C6H10

Quantity Value Units Method Reference Comment
ΔrH°1.09kJ/molEqkPetrova-Kuminskaya, Roganov, et al., 1984gas phase; At 458 K, see Petrova-Kuminskaya, Roganov, et al., 1984, 2

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

By formula: C6H10 = C6H10

Quantity Value Units Method Reference Comment
ΔrH°13.6kJ/molEqkBuechele, Weitz, et al., 1984gas phase

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
PackedSqualane70.612.Safina, Poznyak, et al., 1989He, Risorb (0.2-0.3 mm); Column length: 2. m
CapillarySqualane50.612.5Bajus, Veselý, et al., 1979Column length: 100. m; Column diameter: 0.25 mm
PackedSqualane27.612.Hively and Hinton, 1968He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
PackedSqualane49.614.Hively and Hinton, 1968He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
PackedSqualane67.614.Hively and Hinton, 1968He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
PackedSqualane86.615.Hively and Hinton, 1968He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm

Normal alkane RI, non-polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillarySqualane70.611.Schomburg, 1966 

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryOV-101617.Chupalov and Zenkevich, 1996N2, 3. K/min; Column length: 52. m; Column diameter: 0.26 mm; Tstart: 50. C; Tend: 220. C

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.

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

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]

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]

Petrova-Kuminskaya, Roganov, et al., 1984, 2
Petrova-Kuminskaya, S.V.; Roganov, G.N.; Kabo, G.Ya., Equilibrium of isomerization of 2-methylpentadienes, Neftekhimiya, 1984, 24, 485-490. [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]

Safina, Poznyak, et al., 1989
Safina, L.R.; Poznyak, T.I.; Lisitsyn, D.M.; Kiseleva, E.V.; Kovalev, G.I., Selective gas-chromatographic determination of trace unsaturated and aromatic-hydrocarbons in complex-mixtures, J. Appl. Chem. USSR (Engl. Transl.), 1989, 44, 5, 749-754. [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]

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]

Schomburg, 1966
Schomburg, G., Gaschromatographische Retentionsdaten und Struktur Chemischer Verbindungen. II. Methylverzweigungen und Doppelbindungen in Offenkettigen Kohlenwasserstoffen, J. Chromatogr., 1966, 23, 1-17, https://doi.org/10.1016/S0021-9673(01)98652-2 . [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]


Notes

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