pCO2H-phenoxide anion
- Formula: C7H5O3-
- Molecular weight: 137.1133
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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 |
|---|---|---|---|
| 2.85 ± 0.10 | LPES | Tian, Wang, et al., 2009 | Vertical Detachment Energy: 3.0±0.1 eV. |
Protonation reactions
C7H5O3- + =
By formula: C7H5O3- + H+ = C7H6O3
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 335.9 ± 2.1 | kcal/mol | G+TS | Kebarle and McMahon, 1977 | gas phase; This is probably the phenolic site acidity, not the carboxylic. |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 328.9 ± 2.0 | kcal/mol | IMRE | Kebarle and McMahon, 1977 | gas phase; This is probably the phenolic site acidity, not the carboxylic. |
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.
Tian, Wang, et al., 2009
Tian, Z.X.; Wang, X.B.; Wang, L.S.; Kass, S.R.,
Are Carboxyl Groups the Most Acidic Sites in Amino Acids? Gas-Phase Acidities, Photoelectron Spectra, and Computations on Tyrosine, p-Hydroxybenzoic Acid, and Their Conjugate Bases,
J. Am. Chem. Soc., 2009, 131, 3, 1174-1181, https://doi.org/10.1021/ja807982k
. [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]
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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