2,4-Hexadiene, (E,E)-

Data at NIST subscription sites:

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.


Reaction thermochemistry data

Go To: Top, Gas phase ion energetics data, References, Notes

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

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

By formula: C6H10 = C6H10

Quantity Value Units Method Reference Comment
Δr-1.10kcal/molEqkBuechele, Weitz, et al., 1984gas phase
Δr-0.841kcal/molEqkPetrova-Kuminskaya, Roganov, et al., 1984gas phase; At 458 K, see Petrova-Kuminskaya, Baranov, et al., 1983

2Hydrogen + 2,4-Hexadiene, (E,E)- = n-Hexane

By formula: 2H2 + C6H10 = C6H14

Quantity Value Units Method Reference Comment
Δr-50.5 ± 0.4kcal/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
Δr-3.059kcal/molEqkPetrova-Kuminskaya, Roganov, et al., 1984gas phase; At 458 K, see Petrova-Kuminskaya, Baranov, et al., 1983

Gas phase ion energetics data

Go To: Top, Reaction thermochemistry data, References, Notes

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:
LLK - 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 Comment
8.26 ± 0.05EIWolkoff, Holmes, et al., 1980LLK
8.22 ± 0.02PEBieri, Burger, et al., 1977LLK
8.09PEBeez, Bieri, et al., 1973LLK
8.19PEMasclet, Mouvier, et al., 1981Vertical value; LLK
8.93PESustmann and Schubert, 1972Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C5H7+10.14 ± 0.05CH3EIWolkoff, Holmes, et al., 1980LLK

References

Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Notes

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

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]

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]

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]

Wolkoff, Holmes, et al., 1980
Wolkoff, P.; Holmes, J.L.; Lossing, F.P., On the formation of cyclopentenium cations from all C6H10+ molecular ion structures, Can. J. Chem., 1980, 58, 251. [all data]

Bieri, Burger, et al., 1977
Bieri, G.; Burger, F.; Heilbronner, E.; Maier, J.P., Valence ionization enrgies of hydrocarbons, Helv. Chim. Acta, 1977, 60, 2213. [all data]

Beez, Bieri, et al., 1973
Beez, M.; Bieri, G.; Bock, H.; Heilbronner, E., The ionization potentials of butadiene, hexatriene, andtheir methyl derivatives: evidence for through space interaction between double bond π-orbitals and non-bonded pseudo-π orbitals of methyl groups?, Helv. Chim. Acta, 1973, 56, 1028. [all data]

Masclet, Mouvier, et al., 1981
Masclet, P.; Mouvier, G.; Bocquet, J.F., Effets electroniques et effets steriques dus a la substitution alcoyle dans les dienes conjugues, J. Chim. Phys., 1981, 78, 99. [all data]

Sustmann and Schubert, 1972
Sustmann, R.; Schubert, R., Photoelektronenspektroskopische bestimmung von substituenten-effekten. I. Subtituierte butadiene, Tetrahedron Lett., 1972, 27, 2739. [all data]


Notes

Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, References