CH2=C(OEt)O anion
- Formula: C4H7O2-
- Molecular weight: 87.0977
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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
C4H7O2- + =
By formula: C4H7O2- + H+ = C4H8O2
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 371.7 ± 4.1 | kcal/mol | G+TS | Haas, Giblin, et al., 1998 | gas phase; From transesterification equilibria |
| ΔrH° | 368.9 ± 1.2 | kcal/mol | EIAE | Muftakhov, Vasil'ev, et al., 1999 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 365.0 ± 4.0 | kcal/mol | IMRE | Haas, Giblin, et al., 1998 | gas phase; From transesterification equilibria |
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 |
|---|---|---|---|
| 1.73 ± 0.20 | D-EA | Haas, Giblin, et al., 1998 | From transesterification equilibria |
Protonation reactions
C4H7O2- + =
By formula: C4H7O2- + H+ = C4H8O2
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 371.7 ± 4.1 | kcal/mol | G+TS | Haas, Giblin, et al., 1998 | gas phase; From transesterification equilibria |
| ΔrH° | 368.9 ± 1.2 | kcal/mol | EIAE | Muftakhov, Vasil'ev, et al., 1999 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 365.0 ± 4.0 | kcal/mol | IMRE | Haas, Giblin, et al., 1998 | gas phase; From transesterification equilibria |
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.
Haas, Giblin, et al., 1998
Haas, G.W.; Giblin, D.E.; Gross, M.L.,
The Mechanism and Thermodynamics of Transesterification of Acetate-Ester Enolates in the Gas Phase,
Int. J. Mass Spectrom. Ion Proc., 1998, 172, 1-2, 25, https://doi.org/10.1016/S0168-1176(97)83245-4
. [all data]
Muftakhov, Vasil'ev, et al., 1999
Muftakhov, M.V.; Vasil'ev, Y.V.; Mazunov, V.A.,
Determination of electron affinity of carbonyl radicals by means of negative ion mass spectrometry,
Rapid Commun. Mass Spectrom., 1999, 13, 12, 1104-1108, https://doi.org/10.1002/(SICI)1097-0231(19990630)13:12<1104::AID-RCM619>3.0.CO;2-C
. [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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