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1-Hexene

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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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
MS - José A. Martinho Simões

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Individual Reactions

Hydrogen + 1-Hexene = n-Hexane

By formula: H2 + C6H12 = C6H14

Quantity Value Units Method Reference Comment
Deltar-125. ± 3.kJ/molAVGN/AAverage of 8 values; Individual data points

1-Hexene = 3-Hexene, (E)-

By formula: C6H12 = C6H12

Quantity Value Units Method Reference Comment
Deltar-9.77 ± 0.15kJ/molEqkWiberg and Wasserman, 1981liquid phase; Trifluoroacetolysis; ALS
Deltar-13.7 ± 0.96kJ/molCisoBartolo and Rossini, 1960liquid phase; Calculated from «DELTA»Hc; ALS

1-Hexene = 3-Hexene, (Z)-

By formula: C6H12 = C6H12

Quantity Value Units Method Reference Comment
Deltar-5.74 ± 0.15kJ/molEqkWiberg and Wasserman, 1981liquid phase; Trifluoroacetolysis; ALS
Deltar-6.6 ± 1.3kJ/molCisoBartolo and Rossini, 1960liquid phase; Calculated from «DELTA»Hc; ALS

1-Hexene = 2-Hexene, (Z)-

By formula: C6H12 = C6H12

Quantity Value Units Method Reference Comment
Deltar-7.8 ± 0.2kJ/molEqkWiberg and Wasserman, 1981liquid phase; Trifluoroacetolysis; ALS
Deltar-11.5 ± 1.0kJ/molCisoBartolo and Rossini, 1960liquid phase; Calculated from «DELTA»Hc; ALS

1-Hexene = 2-Hexene, (E)-

By formula: C6H12 = C6H12

Quantity Value Units Method Reference Comment
Deltar-10.9 ± 0.2kJ/molEqkWiberg and Wasserman, 1981liquid phase; Trifluoroacetolysis; ALS
Deltar-13.1 ± 1.3kJ/molCisoBartolo and Rossini, 1960liquid phase; Calculated from «DELTA»Hc; ALS

2-Hexanol = 1-Hexene + Water

By formula: C6H14O = C6H12 + H2O

Quantity Value Units Method Reference Comment
Deltar33.8 ± 0.3kJ/molCmWiberg, Wasserman, et al., 1984liquid phase; Heat of hydration, see Wiberg and Wasserman, 1981; ALS

3-Hexanol = 1-Hexene + Water

By formula: C6H14O = C6H12 + H2O

Quantity Value Units Method Reference Comment
Deltar32.1 ± 0.3kJ/molCmWiberg, Wasserman, et al., 1984liquid phase; Heat of hydration, see Wiberg and Wasserman, 1981; ALS

1-Hexene = 1-Pentene, 2-methyl-

By formula: C6H12 = C6H12

Quantity Value Units Method Reference Comment
Deltar-17.6 ± 0.92kJ/molCisoBartolo and Rossini, 1960liquid phase; Calculated from «DELTA»Hc; ALS

1-Hexene = 1-Pentene, 3-methyl-

By formula: C6H12 = C6H12

Quantity Value Units Method Reference Comment
Deltar-5.8 ± 1.2kJ/molCisoBartolo and Rossini, 1960liquid phase; Calculated from «DELTA»Hc; ALS

1-Hexene = 1-Pentene, 4-methyl-

By formula: C6H12 = C6H12

Quantity Value Units Method Reference Comment
Deltar-7.7 ± 1.5kJ/molCisoBartolo and Rossini, 1960liquid phase; Calculated from «DELTA»Hc; ALS

1-Hexene = 2-Pentene, 2-methyl-

By formula: C6H12 = C6H12

Quantity Value Units Method Reference Comment
Deltar-26.2 ± 1.1kJ/molCisoBartolo and Rossini, 1960liquid phase; Calculated from «DELTA»Hc; ALS

1-Hexene = 2-Pentene, 3-methyl-, (Z)-

By formula: C6H12 = C6H12

Quantity Value Units Method Reference Comment
Deltar-22.0 ± 1.2kJ/molCisoBartolo and Rossini, 1960liquid phase; Calculated from «DELTA»Hc; ALS

1-Hexene = 2-Pentene, 3-methyl-, (E)-

By formula: C6H12 = C6H12

Quantity Value Units Method Reference Comment
Deltar-34.7 ± 0.88kJ/molCisoBartolo and Rossini, 1960liquid phase; Calculated from «DELTA»Hc; ALS

1-Hexene = 2-Pentene, 4-methyl-, (Z)-

By formula: C6H12 = C6H12

Quantity Value Units Method Reference Comment
Deltar-14.6 ± 0.75kJ/molCisoBartolo and Rossini, 1960liquid phase; Calculated from «DELTA»Hc; ALS

1-Hexene = 2-Pentene, 4-methyl-, (E)-

By formula: C6H12 = C6H12

Quantity Value Units Method Reference Comment
Deltar-19.2 ± 1.1kJ/molCisoBartolo and Rossini, 1960liquid phase; Calculated from «DELTA»Hc; ALS

1-Hexene = Pentane, 3-methylene-

By formula: C6H12 = C6H12

Quantity Value Units Method Reference Comment
Deltar-14.7 ± 1.2kJ/molCisoBartolo and Rossini, 1960liquid phase; Calculated from «DELTA»Hc; ALS

1-Hexene = 1-Butene, 2,3-dimethyl-

By formula: C6H12 = C6H12

Quantity Value Units Method Reference Comment
Deltar-23.2 ± 1.4kJ/molCisoBartolo and Rossini, 1960liquid phase; Calculated from «DELTA»Hc; ALS

1-Hexene = 1-Butene, 3,3-dimethyl-

By formula: C6H12 = C6H12

Quantity Value Units Method Reference Comment
Deltar-15.9 ± 1.3kJ/molCisoBartolo and Rossini, 1960liquid phase; Calculated from «DELTA»Hc; ALS

1-Hexene = 2-Butene, 2,3-dimethyl-

By formula: C6H12 = C6H12

Quantity Value Units Method Reference Comment
Deltar-30.0 ± 1.1kJ/molCisoBartolo and Rossini, 1960liquid phase; Calculated from «DELTA»Hc; ALS

1-Hexene + Water = 2-Hexanol

By formula: C6H12 + H2O = C6H14O

Quantity Value Units Method Reference Comment
Deltar-34.5 ± 0.3kJ/molCmWiberg and Wasserman, 1981liquid phase; solvent: Water; Hydration; ALS

C12H16CrO5 (solution) + 1-Hexene (solution) = C11H12CrO5 (solution) + Heptane (solution)

By formula: C12H16CrO5 (solution) + C6H12 (solution) = C11H12CrO5 (solution) + C7H16 (solution)

Quantity Value Units Method Reference Comment
Deltar-51.0 ± 5.0kJ/molPACYang, Peters, et al., 1986solvent: Heptane; MS

1-Hexene + Trifluoroacetic acid = Acetic acid, 2,2,2-trifluoro-, 1-methylpentyl ester

By formula: C6H12 + C2HF3O2 = C8H13F3O2

Quantity Value Units Method Reference Comment
Deltar-50.5 ± 0.1kJ/molEqkWiberg and Wasserman, 1981liquid phase; Trifluoroacetolysis; ALS

C10H11ClZr (cr) + 1-Hexene (l) = C16H23ClZr (cr)

By formula: C10H11ClZr (cr) + C6H12 (l) = C16H23ClZr (cr)

Quantity Value Units Method Reference Comment
Deltar-64.0 ± 4.1kJ/molRSCDiogo, Simoni, et al., 1993MS

References

Go To: Top, Reaction thermochemistry data, Notes

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

Wiberg and Wasserman, 1981
Wiberg, K.B.; Wasserman, D.J., Enthalpies of hydration of alkenes. 1. The n-hexenes, J. Am. Chem. Soc., 1981, 103, 6563-6566. [all data]

Bartolo and Rossini, 1960
Bartolo, H.F.; Rossini, F.D., Heats of isomerization of the seventeen isomeric hexenes, J. Phys. Chem., 1960, 64, 1685-1689. [all data]

Wiberg, Wasserman, et al., 1984
Wiberg, K.B.; Wasserman, D.J.; Martin, E., Enthalpies of hydration of alkenes. 2. The n-heptenes and n-pentenes, J. Phys. Chem., 1984, 88, 3684-3688. [all data]

Yang, Peters, et al., 1986
Yang, G.K.; Peters, K.S.; Vaida, V., Chem. Phys. Lett., 1986, 125, 566. [all data]

Diogo, Simoni, et al., 1993
Diogo, H.P.; Simoni, J.A.; Minas da Piedade, M.E.; Dias, A.R.; Martinho Simões, J.A., J. Am. Chem. Soc., 1993, 115, 2764. [all data]


Notes

Go To: Top, Reaction thermochemistry data, References