NCCH=C(OEt)O anion
- Formula: C5H6NO2-
- Molecular weight: 112.1072
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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
Electron affinity of neutral species
| EAneutral (eV) | Method | Reference | Comment |
|---|---|---|---|
| 2.85 ± 0.13 | D-EA | Taft and Bordwell, 1988 |
Protonation reactions
C5H6NO2- + =
By formula: C5H6NO2- + H+ = C5H7NO2
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 339.9 ± 2.3 | kcal/mol | G+TS | Taft and Bordwell, 1988 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 333.6 ± 2.0 | kcal/mol | IMRE | Taft and Bordwell, 1988 | gas phase |
References
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Taft and Bordwell, 1988
Taft, R.W.; Bordwell, F.G.,
Structural and Solvent Effects Evaluated from Acidities Measured in Dimethyl Sulfoxide and in the Gas Phase,
Acc. Chem. Res., 1988, 21, 12, 463, https://doi.org/10.1021/ar00156a005
. [all data]
Notes
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- 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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