2,3,5,6-tetraMe-benzoate anion
- Formula: C11H13O2-
- Molecular weight: 177.2203
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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 |
|---|---|---|---|
| 3.82 ± 0.16 | D-EA | Decouzon, Ertl, et al., 1993 | relative to benzoate at 333.0 kcal/mol |
Protonation reactions
C11H13O2- + =
By formula: C11H13O2- + H+ = C11H14O2
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 338.6 ± 2.1 | kcal/mol | G+TS | Decouzon, Ertl, et al., 1993 | gas phase; relative to benzoate at 333.0 kcal/mol |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 331.6 ± 2.0 | kcal/mol | IMRE | Decouzon, Ertl, et al., 1993 | gas 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.
Decouzon, Ertl, et al., 1993
Decouzon, M.; Ertl, P.; Exner, O.; Gal, J.F.; Maria, P.C.,
Concepts of Sterically Hindered Resonance and Buttressing Effect - Gas-Phase Acidities of Methyl-Substituted Benzoic Acids and Basicities of,
J. Am. Chem. Soc., 1993, 115, 25, 12071, https://doi.org/10.1021/ja00078a052
. [all data]
Notes
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- 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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