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Hexanoic acid

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Gas phase ion energetics 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
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Ionization energy determinations

IE (eV) Method Reference Comment
<=10.12EIHolmes, Fingas, et al., 1981LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C2H4O2+10.52 ± 0.05C4H8EIHolmes and Lossing, 1980LLK
C2H402+10.521-C4H8EIHolmes and Lossing, 1980, 2LLK

De-protonation reactions

C6H11O2- + Hydrogen cation = Hexanoic acid

By formula: C6H11O2- + H+ = C6H12O2

Quantity Value Units Method Reference Comment
Deltar1448. ± 8.8kJ/molG+TSCaldwell, Renneboog, et al., 1989gas phase; B
Deltar1447. ± 10.kJ/molG+TSMcLuckey, Cameron, et al., 1981gas phase; B
Quantity Value Units Method Reference Comment
Deltar1419. ± 8.4kJ/molIMRECaldwell, Renneboog, et al., 1989gas phase; B
Deltar1418. ± 9.6kJ/molCIDCMcLuckey, Cameron, et al., 1981gas phase; B

References

Go To: Top, 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.

Holmes, Fingas, et al., 1981
Holmes, J.L.; Fingas, M.; Lossing, F.P., Towards a general scheme for estimating the heats of formation of organic ions in the gas phase. Part I. Odd-electron cations, Can. J. Chem., 1981, 59, 80. [all data]

Holmes and Lossing, 1980
Holmes, J.L.; Lossing, F.P., Thermochemistry and unimolecular reactions of ionized acetic acid and its enol in the gas phase., J. Am. Chem. Soc., 1980, 102, 3732. [all data]

Holmes and Lossing, 1980, 2
Holmes, J.L.; Lossing, F.P., Gas-phase heats of formation of keto and enol ions of carbonyl compounds., J. Am. Chem. Soc., 1980, 102, 1591. [all data]

Caldwell, Renneboog, et al., 1989
Caldwell, G.; Renneboog, R.; Kebarle, P., Gas Phase Acidities of Aliphatic Carboxylic Acids, Based on Measurements of Proton Transfer Equilibria, Can. J. Chem., 1989, 67, 4, 661, https://doi.org/10.1139/v89-092 . [all data]

McLuckey, Cameron, et al., 1981
McLuckey, S.A.; Cameron, D.; Cooks, R.G., Proton affinities from the dissociation of proton bound dimers, J. Am. Chem. Soc., 1981, 103, 1313. [all data]


Notes

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