1-Buten-3-yn-2-ol
- Formula: C4H4O
- Molecular weight: 68.0740
- IUPAC Standard InChI: InChI=1S/C4H4O/c1-3-4(2)5/h1,5H,2H2
- IUPAC Standard InChIKey: RYEFLTCEZABBRX-UHFFFAOYSA-N
- CAS Registry Number: 103905-52-8
- Chemical structure:
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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 as indicated in comments:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
View reactions leading to C4H4O+ (ion structure unspecified)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°(+) ion | 226. | kcal/mol | N/A | N/A |
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 8.92 ± 0.03 | EI | Turecek, Havlas, et al., 1986 | LBLHLM |
| >9.0 | EI | Holmes and Terlouw, 1979 | LLK |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C3H4+ | 10.22 ± 0.08 | CO | EI | Turecek, Havlas, et al., 1986 | LBLHLM |
| C4HO+ | 11.20 ± 0.07 | CH3 | EI | Turecek, Havlas, et al., 1986 | LBLHLM |
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.
Turecek, Havlas, et al., 1986
Turecek, F.; Havlas, Z.; Maquin, F.; Gaumann, T.,
72. The mass spectra of organic compounds 1-buten-3-yn-2-ol. A new kinetically unstable C4H4O isomer,
Helv. Chim. Acta, 1986, 69, 683. [all data]
Holmes and Terlouw, 1979
Holmes, J.L.; Terlouw, J.K.,
Structures of [C4H4O]+ ions produced from 2- and 4-pyrone,
J. Am. Chem. Soc., 1979, 101, 4973. [all data]
Notes
Go To: Top, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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