Propen-2-ol
- Formula: C3H6O
- Molecular weight: 58.0791
- 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, UV/Visible spectrum, 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 | -42.1 | kcal/mol | Ion | Turecek and Havlas, 1986 | |
ΔfH°gas | -38. ± 2. | kcal/mol | Ion | Holmes and Lossing, 1982 |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, UV/Visible spectrum, 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 | 158. | kcal/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 |
UV/Visible spectrum
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Spectrum
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Additional Data
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Source | Perkampus, 1966 |
---|---|
Owner | INEP CP RAS, NIST OSRD Collection (C) 2007 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
Origin | INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS |
Source reference | RAS UV No. 19912 |
Instrument | Zeiss PMQ II |
Boiling point | 95-97 |
References
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, UV/Visible spectrum, 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]
Perkampus, 1966
Perkampus, H.-H.,
UV atlas of organic compounds, 1966, 1, A1/1. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, UV/Visible spectrum, 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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