cyclobutanone enolate anion
- Formula: C4H5O-
- Molecular weight: 69.0824
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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
By formula: C4H5O- + H+ = C4H6O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 367.1 ± 4.1 | kcal/mol | G+TS | Brickhouse and Squires, 1988 | gas phase; Between Me2C=NOH, EtCHO |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 359.0 ± 4.0 | kcal/mol | IMRB | Brickhouse and Squires, 1988 | gas phase; Between Me2C=NOH, EtCHO |
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 |
---|---|---|---|
1.8010 ± 0.0080 | LPD | Brinkman, Berger, et al., 1993 | |
1.843 ± 0.065 | PD | Zimmerman, Jackson, et al., 1978 |
Protonation reactions
By formula: C4H5O- + H+ = C4H6O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 367.1 ± 4.1 | kcal/mol | G+TS | Brickhouse and Squires, 1988 | gas phase; Between Me2C=NOH, EtCHO |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 359.0 ± 4.0 | kcal/mol | IMRB | Brickhouse and Squires, 1988 | gas phase; Between Me2C=NOH, EtCHO |
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.
Brickhouse and Squires, 1988
Brickhouse, M.D.; Squires, R.R.,
Gas Phase Bronsted vs. Lewis Acid-Base Reactions of 6,6-Dimethylfulvene. A Sensitive Probe of the Electronic Structures of Organic Anions,
J. Am. Chem. Soc., 1988, 110, 9, 2706, https://doi.org/10.1021/ja00217a002
. [all data]
Brinkman, Berger, et al., 1993
Brinkman, E.A.; Berger, S.; Marks, J.; Brauman, J.I.,
Molecular Rotation and the Observation of Dipole-Bound States of Anions,
J. Chem. Phys., 1993, 99, 10, 7586, https://doi.org/10.1063/1.465688
. [all data]
Zimmerman, Jackson, et al., 1978
Zimmerman, A.H.; Jackson, R.L.; Janousek, B.K.; Brauman, J.J.,
Electron photodetachment from cyclic enolate anions in the gas phase: Electron affinities of cyclic enolate radicals,
J. Am. Chem. Soc., 1978, 100, 4674. [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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