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2-Hexanol

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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: Donald R. Burgess, Jr.

Quantity Value Units Method Reference Comment
Deltafgas-79.71 ± 0.53kcal/molN/AWiberg, Wasserman, et al., 1984Value computed using «DELTA»fHliquid° value of -392±0.88 kj/mol from Wiberg, Wasserman, et al., 1984 and «DELTA»vapH° value of 58.47±2 kj/mol from missing citation.
Deltafgas-80.21 ± 0.53kcal/molN/AWiberg and Wasserman, 1981Value computed using «DELTA»fHliquid° value of -394.1±0.88 kj/mol from Wiberg and Wasserman, 1981 and «DELTA»vapH° value of 58.47±2 kj/mol from missing citation.
Deltafgas-78.85 ± 0.50kcal/molN/ASachek, Peshchenko, et al., 1974Value computed using «DELTA»fHliquid° value of -388.4±0.75 kj/mol from Sachek, Peshchenko, et al., 1974 and «DELTA»vapH° value of 58.47±2 kj/mol from missing citation.

Condensed 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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Deltafliquid-93.68 ± 0.21kcal/molCmWiberg, Wasserman, et al., 1984Heat of hydration, see Wiberg and Wasserman, 1981; ALS
Deltafliquid-94.19 ± 0.21kcal/molCmWiberg and Wasserman, 1981ALS
Deltafliquid-92.84 ± 0.18kcal/molCcbSachek, Peshchenko, et al., 1974Heat of combustion not reported; ALS

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
61.260298.15Tanaka, Luo, et al., 1988DH
62.223298.15Ortega, 1986DH

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

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

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

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, 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, 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]

Sachek, Peshchenko, et al., 1974
Sachek, A.I.; Peshchenko, A.D.; Andreevskii, D.N., Heats of formation of secondary pentanols and hexanols, Russ. J. Phys. Chem. (Engl. Transl.), 1974, 48, 617. [all data]

Tanaka, Luo, et al., 1988
Tanaka, R.; Luo, B.; Benson, G.C.; Lu, B.C.-Y., Excess isobaric heat capacities and excess volumes of some hexanol + n-heptane mixtures, Thermochim. Acta, 1988, 127, 15-23. [all data]

Ortega, 1986
Ortega, J., Excess molar heat capacities of the binary mixtures of cyclohexane with isomers of hexanol at 298.15 K, Rev. Latinoam. Ing. Quim. Quim. Apl., 1986, 16, 307-315. [all data]

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]


Notes

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