cycloheptanone enolate anion
- Formula: C7H11O-
- Molecular weight: 111.1622
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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: C7H11O- + H+ = C7H12O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 367.4 ± 2.2 | kcal/mol | D-EA | Zimmerman, Jackson, et al., 1978 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 360.0 ± 2.4 | kcal/mol | H-TS | Zimmerman, Jackson, et al., 1978 | gas phase |
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 |
---|---|---|---|
1.444 ± 0.020 | LPES | Brinkman, Berger, et al., 1993 | HOF(cycloheptanone), Pedley, Naylor, et al., 1986 likely in error, Miranda, Morais, et al., 2010 |
1.483 ± 0.043 | PD | Zimmerman, Jackson, et al., 1978 |
Protonation reactions
By formula: C7H11O- + H+ = C7H12O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 367.4 ± 2.2 | kcal/mol | D-EA | Zimmerman, Jackson, et al., 1978 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 360.0 ± 2.4 | kcal/mol | H-TS | Zimmerman, Jackson, et al., 1978 | gas phase |
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.
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]
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]
Pedley, Naylor, et al., 1986
Pedley, J.B.; Naylor, R.D.; Kirby, S.P.,
Thermochemical Data of Organic Compounds., 2nd Ed., Chapman and Hall, London,, 1986. [all data]
Miranda, Morais, et al., 2010
Miranda, M.S.; Morais, V.M.F.; Matos, M.A.R.; Liebman, J.F.,
Standard molar enthalpy of formation of 1-benzosuberone: An experimental and computational study,
J. Chem. Therm., 2010, 42, 9, 1094-1100, https://doi.org/10.1016/j.jct.2010.04.007
. [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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