Me2C=C(Me)O anion
- Formula: C5H9O-
- Molecular weight: 85.1249
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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 |
|---|---|---|---|
| 1.27 ± 0.17 | D-EA | Chyall, Brickhouse, et al., 1994 | By equilibration, more substituted site is less acidic than Me by 2.3 kcal/mol |
Protonation reactions
C5H9O- + =
By formula: C5H9O- + H+ = C5H10O
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 369.3 ± 2.7 | kcal/mol | G+TS | Chyall, Brickhouse, et al., 1994 | gas phase; By equilibration, more substituted site is less acidic than Me by 2.3 kcal/mol |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 362.8 ± 2.5 | kcal/mol | IMRE | Chyall, Brickhouse, et al., 1994 | gas phase; By equilibration, more substituted site is less acidic than Me by 2.3 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.
Chyall, Brickhouse, et al., 1994
Chyall, L.J.; Brickhouse, M.D.; Schnute, M.E.; Squires, R.R.,
Kinetic versus thermodynamic control in the deprotonation of unsymmetrical ketones in the gas phase,
J. Am. Chem. Soc., 1994, 116, 19, 8681, https://doi.org/10.1021/ja00098a031
. [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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