1,3-Butadienal
- Formula: C4H4O
- Molecular weight: 68.0740
- IUPAC Standard InChI: InChI=1S/C4H4O/c1-2-3-4-5/h2-3H,1H2
- IUPAC Standard InChIKey: XGIVOKYSENAIBM-UHFFFAOYSA-N
- CAS Registry Number: 50888-73-8
- Chemical structure:
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Gas phase ion energetics data
Go To: Top, 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
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 |
|---|---|---|---|
| 8.30 ± 0.05 | EI | Holmes and Terlouw, 1979 | LLK |
| 8.45 | PE | McNaughton and Suffolk, 1985 | Vertical value; LBLHLM |
| 8.4 | PE | Mohmand, Hirabayashi, et al., 1981 | Vertical value; LLK |
| 8.4 | PE | Bock, Hirabayashi, et al., 1981 | 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 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]
McNaughton and Suffolk, 1985
McNaughton, D.; Suffolk, R.J.,
The production and photoelectron spectrum of propa-1,2-dien-3-one, C3H2O,
J. Chem. Res. Synop., 1985, 32. [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]
Bock, Hirabayashi, et al., 1981
Bock, H.; Hirabayashi, T.; Mohmand, S.,
Thermische erzeugung von alkyl- und halogenketenen,
Chem. Ber., 1981, 114, 2595. [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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