piPr-phenoxide anion
- Formula: C9H11O-
- Molecular weight: 135.1836
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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 |
|---|---|---|---|
| 2.23 ± 0.10 | D-EA | Fujio, McIver, et al., 1981 | ΔHf(AH) disagrees with group additivity by 8.6 kcal/mol (-41.4 kcal/mol; value altered from reference due to change in acidity scale |
Protonation reactions
C9H11O- + =
By formula: C9H11O- + H+ = C9H12O
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 349.2 ± 2.1 | kcal/mol | G+TS | Fujio, McIver, et al., 1981 | gas phase; ΔHf(AH) disagrees with group additivity by 8.6 kcal/mol (-41.4 kcal/mol; value altered from reference due to change in acidity scale |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 342.4 ± 2.0 | kcal/mol | IMRE | Fujio, McIver, et al., 1981 | gas phase; ΔHf(AH) disagrees with group additivity by 8.6 kcal/mol (-41.4 kcal/mol; value altered from reference due to change in acidity scale |
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.
Fujio, McIver, et al., 1981
Fujio, M.; McIver, R.T., Jr.; Taft, R.W.,
Effects on the acidities of phenols from specific substituent-solvent interactions. Inherent substituent parameters from gas phase acidities,
J. Am. Chem. Soc., 1981, 103, 4017. [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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