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2-Hexanol

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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:
B - John E. Bartmess
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

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Individual Reactions

C6H13O- + Hydrogen cation = 2-Hexanol

By formula: C6H13O- + H+ = C6H14O

Quantity Value Units Method Reference Comment
Deltar372.8 ± 2.0kcal/molCIDCHaas and Harrison, 1993gas phase; Both metastable and 50 eV collision energy.; B
Quantity Value Units Method Reference Comment
Deltar366.2 ± 2.1kcal/molH-TSHaas and Harrison, 1993gas phase; Both metastable and 50 eV collision energy.; B

2-Hexanol = 1-Hexene + Water

By formula: C6H14O = C6H12 + H2O

Quantity Value Units Method Reference Comment
Deltar8.07 ± 0.08kcal/molCmWiberg, Wasserman, et al., 1984liquid phase; Heat of hydration, see Wiberg and Wasserman, 1981; ALS

1-Hexene + Water = 2-Hexanol

By formula: C6H12 + H2O = C6H14O

Quantity Value Units Method Reference Comment
Deltar-8.25 ± 0.08kcal/molCmWiberg and Wasserman, 1981liquid phase; solvent: Water; Hydration; ALS

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

By formula: C4F6O3 + C6H14O = C2HF3O2 + C8H13F3O2

Quantity Value Units Method Reference Comment
Deltar-21.35 ± 0.01kcal/molCmWiberg and Wasserman, 1981liquid phase; ALS

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.

Haas and Harrison, 1993
Haas, M.J.; Harrison, A.G., The Fragmentation of Proton-Bound Cluster Ions and the Gas-Phase Acidities of Alcohols, Int. J. Mass Spectrom. Ion Proc., 1993, 124, 2, 115, https://doi.org/10.1016/0168-1176(93)80003-W . [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]

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]


Notes

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