HC≡CCOCH2CH2CH3
- Formula: C6H8O
- Molecular weight: 96.1271
- IUPAC Standard InChI: InChI=1S/C6H8O/c1-3-5-6(7)4-2/h2H,3,5H2,1H3
- IUPAC Standard InChIKey: KSJAIMUFADDAOP-UHFFFAOYSA-N
- CAS Registry Number: 689-00-9
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: 1-Hexyn-3-one; Ethynyl propyl ketone; Hex-1-yn-3-one; 1-Hexyne-3-one
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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 C6H8O+ (ion structure unspecified)
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 10.22 ± 0.04 | EI | Turecek, Havlas, et al., 1986 | LBLHLM |
| 9.94 | PE | Carlier and Mouvier, 1979 | Vertical value; LLK |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C4H4O+ | 10.08 | C2H4 | EI | Burgers, Holmes, et al., 1982 | 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]
Carlier and Mouvier, 1979
Carlier, P.; Mouvier, G.,
Etude par spectrometrie de photoelectrons de la structure electronique des ynals et des ynones conjugues,
J. Electron Spectrosc. Relat. Phenom., 1979, 17, 169. [all data]
Burgers, Holmes, et al., 1982
Burgers, P.C.; Holmes, J.L.; Lossing, F.P.; Mommers, A.A.; Povel, F.R.; Terlouw, J.K.,
Isomeric and tautomeric [C4H4O]+ ions. Their thermochemistry and collisionally induced fragmentation characteristics,
Can. J. Chem., 1982, 60, 2246. [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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