3-Butyn-2-ol
- Formula: C4H6O
- Molecular weight: 70.0898
- IUPAC Standard InChIKey: GKPOMITUDGXOSB-UHFFFAOYSA-N
- CAS Registry Number: 2028-63-9
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: α-Methylpropargyl alcohol; Methylethynylcarbinol; 1-Butyn-3-ol; 1-Methyl-2-propynyl alcohol; 1-Methylpropargyl alcohol; 3-Butyne-2-ol; 3-Hydroxy-1-butyne; HC≡CCH(CH3)OH; 1-Ethynylethanol; but-3-yn-2-ol
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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 C4H6O+ (ion structure unspecified)
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
≤10.15 | EI | Holmes and Lossing, 1986 | LBLHLM |
10.41 | PE | Andreocci, Bitchev, et al., 1979 | Vertical value; LLK |
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.
Holmes and Lossing, 1986
Holmes, J.L.; Lossing, F.P.,
Title unavailable,
Personal communication to S.G. Lias, 1986. [all data]
Andreocci, Bitchev, et al., 1979
Andreocci, M.V.; Bitchev, P.; Carusi, P.; Furlani, A.,
Valence shell photoionization spectra of some substituted hydroxy-acetylenes. A tentative correlation with their cyclotrimerization reactions,
J. Electron Spectrosc. Relat. Phenom., 1979, 16, 25. [all data]
Notes
Go To: Top, Gas phase ion energetics data, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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