2,5-diMe-benzoate anion
- Formula: C9H9O2-
- Molecular weight: 149.1671
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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
C9H9O2- + =
By formula: C9H9O2- + H+ = C9H10O2
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 1420. ± 8.8 | kJ/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° | 1391. ± 8.4 | kJ/mol | IMRE | Decouzon, Ertl, et al., 1993 | gas phase; relative to benzoate at 333.0 kcal/mol |
Gas phase ion energetics data
Go To: Top, Reaction thermochemistry data, References, Notes
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 |
|---|---|---|---|
| 3.78 ± 0.16 | D-EA | Decouzon, Ertl, et al., 1993 | relative to benzoate at 333.0 kcal/mol |
Protonation reactions
C9H9O2- + =
By formula: C9H9O2- + H+ = C9H10O2
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 1420. ± 8.8 | kJ/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° | 1391. ± 8.4 | kJ/mol | IMRE | Decouzon, Ertl, et al., 1993 | gas phase; relative to benzoate at 333.0 kcal/mol |
References
Go To: Top, Reaction thermochemistry data, 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.
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
Go To: Top, Reaction thermochemistry data, 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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