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mMe-benzoate anion


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 by: John E. Bartmess

Electron affinity of neutral species

EAneutral (eV) Method Reference Comment
<3.610 ± 0.050LPESWoo, Wang, et al., 2005 
3.73 ± 0.16D-EAKebarle and McMahon, 1977 

Protonation reactions

C8H7O2- + Hydrogen cation = Benzoic acid, 3-methyl-

By formula: C8H7O2- + H+ = C8H8O2

Quantity Value Units Method Reference Comment
Deltar1425. ± 8.8kJ/molG+TSKebarle and McMahon, 1977gas phase
Deltar1424. ± 8.8kJ/molG+TSDecouzon, Exner, et al., 1996gas phase; Relative to benzoate at 333.0 kcal/mol
Quantity Value Units Method Reference Comment
Deltar1396. ± 8.4kJ/molIMREKebarle and McMahon, 1977gas phase
Deltar1395. ± 8.4kJ/molIMREDecouzon, Exner, et al., 1996gas phase; Relative to benzoate at 333.0 kcal/mol

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.

Woo, Wang, et al., 2005
Woo, H.K.; Wang, X.B.; Kiran, B.; Wang, L.S., Temperature-dependent photoelectron spectroscopy of methyl benzoate anions: Observation of steric effect in o-methyl benzoate, J. Phys. Chem. A, 2005, 109, 50, 11395-11400, https://doi.org/10.1021/jp0529467 . [all data]

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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