Benzoic acid, 3-hydroxy-, methyl ester


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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias

Data compiled as indicated in comments:
B - John E. Bartmess

Quantity Value Units Method Reference Comment
Proton affinity (review)203.2kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity195.8kcal/molN/AHunter and Lias, 1998HL

De-protonation reactions

C8H7O3- + Hydrogen cation = Benzoic acid, 3-hydroxy-, methyl ester

By formula: C8H7O3- + H+ = C8H8O3

Quantity Value Units Method Reference Comment
Δr343.8 ± 2.1kcal/molG+TSFujio, McIver, et al., 1981gas phase; B
Quantity Value Units Method Reference Comment
Δr337.0 ± 2.0kcal/molIMREFujio, McIver, et al., 1981gas phase; B

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.

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Fujio, McIver, et al., 1981
Fujio, M.; McIver, R.T., Jr.; Taft, R.W., Effects on the acidities of phenols from specific substituent-solvent interactions. Inherent substituent parameters from gas phase acidities, J. Am. Chem. Soc., 1981, 103, 4017. [all data]


Notes

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