1,3,5-Cycloheptatriene,7-(2-phenylethyl)-
- Formula: C15H16
- Molecular weight: 196.2875
- IUPAC Standard InChI: InChI=1S/C15H16/c1-2-5-9-14(8-4-1)12-13-15-10-6-3-7-11-15/h1-11,14H,12-13H2
- IUPAC Standard InChIKey: CHBFHNUTCRRSGB-UHFFFAOYSA-N
- CAS Registry Number: 71275-32-6
- 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 by: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
| IE (eV) | Method | Reference |
|---|---|---|
| 8.06 ± 0.05 | EI | Kuck and Grutzmacher, 1979 |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C7H7+ | 9.3 ± 0.1 | ? | EI | Kuck and Grutzmacher, 1979 | |
| C7H8+ | 9.0 ± 0.1 | ? | EI | Kuck and Grutzmacher, 1979 | |
| C8H8+ | 9.3 ± 0.2 | ? | EI | Kuck and Grutzmacher, 1979 | |
| C8H9+ | 8.95 ± 0.05 | ? | EI | Kuck and Grutzmacher, 1979 |
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.
Kuck and Grutzmacher, 1979
Kuck, D.; Grutzmacher, H.-Fr.,
The activation energy of the skeletal isomerization in the radical cations of toluene and cycloheptatriene by mass spectrometry of their 2-phenylethyl derivatives,
Org. Mass Spectrom., 1979, 14, 86. [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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