1,2-Butadienone
- Formula: C4H4O
- Molecular weight: 68.0740
- IUPAC Standard InChI: InChI=1S/C4H4O/c1-2-3-4-5/h2H,1H3
- IUPAC Standard InChIKey: YWAAKSBJISUYNU-UHFFFAOYSA-N
- CAS Registry Number: 78957-08-1
- 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)
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 8.68 ± 0.05 | EI | Terlouw, Holmes, et al., 1983 | LBLHLM |
| 8.9 | PE | Mohmand, Hirabayashi, et al., 1981 | Vertical value; LLK |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C3HO+ | 11.02 ± 0.05 | CH3 | EI | Terlouw, Holmes, et al., 1983 | 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.
Terlouw, Holmes, et al., 1983
Terlouw, J.K.; Holmes, J.L.; Lossing, F.P.,
Ionized ethylidene ketene and its homologue methylene ketene,
Can. J. Chem., 1983, 61, 1722. [all data]
Mohmand, Hirabayashi, et al., 1981
Mohmand, S.; Hirabayashi, T.; Bock, H.,
Gasphasen-reaktionen, 22. Thermische erzeugung von C4H4O: Vinylketen und ethylidenketen,
Chem. Ber., 1981, 114, 1609. [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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