mMe-benzoate anion
- Formula: C8H7O2-
- Molecular weight: 135.1405
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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 by: John E. Bartmess
Electron affinity of neutral species
| EAneutral (eV) | Method | Reference | Comment |
|---|---|---|---|
| <3.610 ± 0.050 | LPES | Woo, Wang, et al., 2005 | |
| 3.73 ± 0.16 | D-EA | Kebarle and McMahon, 1977 |
Protonation reactions
C8H7O2- + =
By formula: C8H7O2- + H+ = C8H8O2
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 340.6 ± 2.1 | kcal/mol | G+TS | Kebarle and McMahon, 1977 | gas phase |
| ΔrH° | 340.4 ± 2.1 | kcal/mol | G+TS | Decouzon, Exner, et al., 1996 | gas phase; Relative to benzoate at 333.0 kcal/mol |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 333.6 ± 2.0 | kcal/mol | IMRE | Kebarle and McMahon, 1977 | gas phase |
| ΔrG° | 333.4 ± 2.0 | kcal/mol | IMRE | Decouzon, Exner, et al., 1996 | gas 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
Go To: Top, Gas phase ion energetics data, References
- Symbols used in this document:
EAneutral Electron affinity of neutral species ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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