Propen-2-ol
- Formula: C3H6O
- Molecular weight: 58.0791
- IUPAC Standard InChI: InChI=1S/C3H6O/c1-3(2)4/h4H,1H2,2H3
- IUPAC Standard InChIKey: NARVIWMVBMUEOG-UHFFFAOYSA-N
- CAS Registry Number: 29456-04-0
- Chemical structure:
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Gas phase 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -176. | kJ/mol | Ion | Turecek and Havlas, 1986 | |
| ΔfH°gas | -160. ± 8. | kJ/mol | Ion | Holmes and Lossing, 1982 |
Gas phase ion energetics data
Go To: Top, Gas phase 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 as indicated in comments:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
View reactions leading to C3H6O+ (ion structure unspecified)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°(+) ion | 661. | kJ/mol | N/A | N/A |
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 8.6 ± 0.1 | EI | Iraqi, Pri-Bar, et al., 1986 | LBLHLM |
| 8.67 ± 0.05 | EI | Turecek and Hanus, 1984 | LBLHLM |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C2H3O+ | 11.03 ± 0.03 | CH3 | EI | Turecek and Hanus, 1984 | LBLHLM |
References
Go To: Top, Gas phase 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.
Turecek and Havlas, 1986
Turecek, F.; Havlas, Z.,
Thermochemistry of unstable enols: the O-(Cd)(H) group equivalent,
J. Org. Chem., 1986, 51, 4066-4067. [all data]
Holmes and Lossing, 1982
Holmes, J.L.; Lossing, F.P.,
Heats of formation of the ionic and neutral enols of acetaldehyde and acetone,
J. Am. Chem. Soc., 1982, 104, 2648-2649. [all data]
Iraqi, Pri-Bar, et al., 1986
Iraqi, M.; Pri-Bar, I.; Lifshitz, C.,
Electron impact ionization of unstable enols: H2C=CHOH, H2C=C(OH)-CH3 and H2C=C(OH)-C2H5,
Org. Mass Spectrom., 1986, 21, 661. [all data]
Turecek and Hanus, 1984
Turecek, F.; Hanus, V.,
Loss of methyl from [H2C=C(OH)-CH3]+ ions prepared by electron impact ionzation of unstable 2-hydroxypropene,
Org. Mass Spectrom., 1984, 19, 631. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy ΔfH°gas Enthalpy of formation of gas at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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