5,5-diMe-1,3-cyclohexanedione-2-CONHPh-2-ide anion
- Formula: C15H16NO3-
- Molecular weight: 258.2930
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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
C15H16NO3- + = C15H17NO3
By formula: C15H16NO3- + H+ = C15H17NO3
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 334.8 ± 2.1 | kcal/mol | G+TS | Mishima, Matsuoka, et al., 2004 | gas phase; Calc: enol form of acid more stable. |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 326.1 ± 2.0 | kcal/mol | IMRE | Mishima, Matsuoka, et al., 2004 | gas phase; Calc: enol form of acid more stable. |
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.
Mishima, Matsuoka, et al., 2004
Mishima, M.; Matsuoka, M.; Lei, Y.X.; Rappoport, Z.,
Gas-phase acidities of disubstituted methanes and of enols of carboxamides substituted by electron-withdrawing groups,
J. Org. Chem., 2004, 69, 18, 5947-5965, https://doi.org/10.1021/jo040196b
. [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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