CH2=CHCH2O anion
- Formula: C3H5O-
- Molecular weight: 57.0717
- Information on this page:
- Options:
Reaction thermochemistry data
Go To: Top, Gas phase ion energetics 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
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual 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 |
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
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, 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.
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
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, References
- 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
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.