cyclohexenone-4-enolate anion
- Formula: C6H7O-
- Molecular weight: 95.1197
- IUPAC Standard InChI: InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-3,7H,4H2/p-1
- IUPAC Standard InChIKey: XRXABBVBSHNVMB-UHFFFAOYSA-M
- Chemical structure:
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Reaction thermochemistry data
Go To: Top, 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
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Individual Reactions
+
=
By formula: C6H7O- + H+ = C6H8O
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 1496. ± 8.8 | kJ/mol | G+TS | Bartmess and Kiplinger, 1986 | gas phase; value altered from reference due to change in acidity scale |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 1464. ± 8.4 | kJ/mol | IMRE | Bartmess and Kiplinger, 1986 | gas phase; value altered from reference due to change in acidity scale |
References
Go To: Top, Reaction thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Bartmess and Kiplinger, 1986
Bartmess, J.E.; Kiplinger, J.P.,
'Kinetic' vs. thermodynamic acidities of enones in the gas phase,
J. Org. Chem., 1986, 51, 2173. [all data]
Notes
Go To: Top, Reaction thermochemistry 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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