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pMe-benzoate anion


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 by: John E. Bartmess

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Individual Reactions

C8H7O2- + Hydrogen cation = Benzoic acid, 4-methyl-

By formula: C8H7O2- + H+ = C8H8O2

Quantity Value Units Method Reference Comment
Deltar341.0 ± 2.1kcal/molG+TSKebarle and McMahon, 1977gas phase
Deltar340.7 ± 2.1kcal/molG+TSDecouzon, Exner, et al., 1996gas phase; relative to benzoate at 333.0 kcal/mol
Quantity Value Units Method Reference Comment
Deltar334.0 ± 2.0kcal/molIMREKebarle and McMahon, 1977gas phase
Deltar333.7 ± 2.0kcal/molIMREDecouzon, Exner, et al., 1996gas phase; relative to benzoate at 333.0 kcal/mol

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.

Kebarle and McMahon, 1977
Kebarle, P.; McMahon, T.B., Intrinsic Acidities of Substituted Phenols and Benzoic Acids Determined by Gas Phase Proton Transfer Equilibria, J. Am. Chem. Soc., 1977, 99, 7, 2222, https://doi.org/10.1021/ja00449a032 . [all data]

Decouzon, Exner, et al., 1996
Decouzon, M.; Exner, O.; Gal, J.-F.; Maria, P.-C., Non-classical Buttressing Effect: Gas-phase Ionization of Some Methyl Substituted Benzoic Acids, J. Chem. Soc. Perkin Trans., 1996, 2, 4, 475, https://doi.org/10.1039/p29960000475 . [all data]


Notes

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