1,3-Butadiene-2-ol
- Formula: C4H6O
- Molecular weight: 70.0898
- IUPAC Standard InChI: InChI=1S/C4H6O/c1-3-4(2)5/h3,5H,1-2H2
- IUPAC Standard InChIKey: DYBUYNXFWDRGMW-UHFFFAOYSA-N
- CAS Registry Number: 59120-04-6
- 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 | -77. ± 5. | kJ/mol | Ion | Turecek, 1984 |
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 C4H6O+ (ion structure unspecified)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°(+) ion | 761. | kJ/mol | N/A | N/A |
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 8.68 ± 0.03 | EI | Turecek, 1984, 2 | 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, 1984
Turecek, F.,
2-Hydroxybutadiene: preparation, ionization energy and heat of formation,
Tetrahedron Lett., 1984, 25, 5133-5134. [all data]
Turecek, 1984, 2
Turecek, F.,
2-hydroxybutadiene: Preparation, ionization energy and heat of formation,
Tetrahedron Lett., 1984, 25, 5133. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
ΔfH°gas Enthalpy of formation of gas at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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