CH2=CHCH2O anion
- Formula: C3H5O-
- Molecular weight: 57.0717
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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
Protonation reactions
C3H5O- + =
By formula: C3H5O- + H+ = C3H6O
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 373.5 ± 2.9 | kcal/mol | G+TS | Graul, Schnute, et al., 1990 | gas phase |
| ΔrH° | 334. ± 12. | kcal/mol | Acid | Kuhn, Fenzlaff, et al., 1988 | gas phase; From CH2=CHCH2OH, AP 0.9 eV; est. thermo = 2.5 eV |
| ΔrH° | 336.7 ± 2.0 | kcal/mol | D-EA | Bouby, Compton, et al., 1968 | gas phase; EA probably 2 eV less |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 366.6 ± 2.8 | kcal/mol | CIDC | Graul, Schnute, et al., 1990 | gas phase |
| ΔrG° | 329.8 ± 2.1 | kcal/mol | H-TS | Bouby, Compton, et al., 1968 | gas phase; EA probably 2 eV less |
References
Go To: Top, 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.
Graul, Schnute, et al., 1990
Graul, S.T.; Schnute, M.E.; Squires, R.R.,
Gas-Phase Acidities of Carboxylic Acids and Alcohols from Collision-Induced Dissociation of Dimer Cluster Ions,
Int. J. Mass Spectrom. Ion Proc., 1990, 96, 2, 181, https://doi.org/10.1016/0168-1176(90)87028-F
. [all data]
Kuhn, Fenzlaff, et al., 1988
Kuhn, A.; Fenzlaff, H.-P.; Illenberger, E.,
Formation and Dissociation of Negative Ion Resonances in Methanol and Allyl Alcohol,
J. Chem. Phys., 1988, 88, 12, 7453, https://doi.org/10.1063/1.454309
. [all data]
Bouby, Compton, et al., 1968
Bouby, L.; Compton, R.N.; Souleyrol, A.,
Formation d'ions negatifs dans l'alcool allylique et l'acroleine.,
Comptes Rendues. Acad. Sc. Paris, 1968, 266, 1250. [all data]
Notes
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- 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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