CH2=C(Me)CO 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
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 |
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
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
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.
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
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, References
- 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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