CH2=C(OMe)O anion
- Formula: C3H5O2-
- Molecular weight: 73.0711
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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
C3H5O2- + =
By formula: C3H5O2- + H+ = C3H6O2
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 371.8 ± 2.1 | kcal/mol | G+TS | Bartmess, Scott, et al., 1979 | gas phase; value altered from reference due to change in acidity scale |
| ΔrH° | 371.8 ± 3.7 | kcal/mol | D-EA | Zimmerman, Reed, et al., 1977 | gas phase |
| ΔrH° | 375.9 ± 3.5 | kcal/mol | EIAE | Pariat and Allan, 1991 | gas phase; From CH3CO2Me |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 365.1 ± 2.0 | kcal/mol | IMRE | Bartmess, Scott, et al., 1979 | gas phase; value altered from reference due to change in acidity scale |
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 |
|---|---|---|---|
| 1.800 ± 0.061 | PD | Zimmerman, Reed, et al., 1977 |
Protonation reactions
C3H5O2- + =
By formula: C3H5O2- + H+ = C3H6O2
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 371.8 ± 2.1 | kcal/mol | G+TS | Bartmess, Scott, et al., 1979 | gas phase; value altered from reference due to change in acidity scale |
| ΔrH° | 371.8 ± 3.7 | kcal/mol | D-EA | Zimmerman, Reed, et al., 1977 | gas phase |
| ΔrH° | 375.9 ± 3.5 | kcal/mol | EIAE | Pariat and Allan, 1991 | gas phase; From CH3CO2Me |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 365.1 ± 2.0 | kcal/mol | IMRE | Bartmess, Scott, et al., 1979 | gas phase; value altered from reference due to change in acidity scale |
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.
Bartmess, Scott, et al., 1979
Bartmess, J.E.; Scott, J.A.; McIver, R.T., Jr.,
The gas phase acidity scale from methanol to phenol,
J. Am. Chem. Soc., 1979, 101, 6047. [all data]
Zimmerman, Reed, et al., 1977
Zimmerman, A.H.; Reed, K.J.; Brauman, J.I.,
Photodetachment of electrons from enolate anions. Gas phase electron affinities of enolate radicals,
J. Am. Chem. Soc., 1977, 99, 7203. [all data]
Pariat and Allan, 1991
Pariat, Y.; Allan, M.,
Dissociative Attachment to Methyl Acetate: Evidence for Ion/Molecule Complexes as Intermediates,
Int. J. Mass Spectrom. Ion Proc., 1991, 103, 2-3, 181, https://doi.org/10.1016/0168-1176(91)80088-5
. [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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