1-cyanovinyl acetate
- Formula: C5H5NO2
- Molecular weight: 111.0987
- IUPAC Standard InChI: InChI=1S/C5H5NO2/c1-4(3-6)8-5(2)7/h1H2,2H3
- IUPAC Standard InChIKey: LFSHREXVLSTLFB-UHFFFAOYSA-N
- CAS Registry Number: 3061-65-2
- 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 by: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 10.76 ± 0.05 | PE | Houk and Munchausen, 1976 | Vertical value |
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.
Houk and Munchausen, 1976
Houk, K.N.; Munchausen, L.L.,
Ionization potentials, electron affinities, reactivities of cyanoalkenes related electron-deficient alkenes. A frontier molecular orbital treatment of cyanoalkene reactivities in cycloaddition, electrophilic, nucleophilic, and radical reactions.,
J. Am. Chem. Soc., 1976, 98, 937. [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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