CH2=C(Me)CO anion
- Formula: C4H5O-
- Molecular weight: 69.0824
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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
Protonation reactions
C4H5O- + =
By formula: C4H5O- + H+ = C4H6O
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 376.7 ± 3.1 | kcal/mol | G+TS | Kleingeld and Nibbering, 1984 | gas phase; Acid: 2-methylpropenal. Reprotonation to dimethyl ketene? G3MP2B3 calculations indicate a dHacid of 396 kcal/mol |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 369.0 ± 3.0 | kcal/mol | IMRB | Kleingeld and Nibbering, 1984 | gas phase; Acid: 2-methylpropenal. Reprotonation to dimethyl ketene? G3MP2B3 calculations indicate a dHacid of 396 kcal/mol |
References
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Kleingeld and Nibbering, 1984
Kleingeld, J.C.; Nibbering, N.M.M.,
Negative Ion/Molecule Cycloaddition Reactions of 2-Methylpropenal in the Gas Phase,
Recl. Trav. Chim. Pays-Bas, 1984, 103, 3, 87, https://doi.org/10.1002/recl.19841030303
. [all data]
Notes
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- Symbols used in this document:
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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