Benzene, 1-nitro-4-(2-phenylethyl)-
- Formula: C14H13NO2
- Molecular weight: 227.2585
- IUPAC Standard InChI: InChI=1S/C14H13NO2/c16-15(17)14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-5,8-11H,6-7H2
- IUPAC Standard InChIKey: FCVDHPQXWWONCH-UHFFFAOYSA-N
- CAS Registry Number: 14310-29-3
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Bibenzyl, 4-nitro-; p-Nitrobibenzyl; 4-Nitrobibenzyl
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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:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 9.17 ± 0.05 | EI | Pignataro, Mancini, et al., 1972 | LLK |
| 8.9 ± 0.1 | EI | McLafferty, Wachs, et al., 1970 | RDSH |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C7H6NO2+ | ~16. | ? | EI | McLafferty, Wachs, et al., 1970 | RDSH |
| C7H7+ | 10.4 ± 0.2 | ? | EI | McLafferty, Wachs, et al., 1970 | RDSH |
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.
Pignataro, Mancini, et al., 1972
Pignataro, S.; Mancini, V.; Innorta, G.; Distefano, G.,
Ionization energies and ring orbital interaction in diarylmethanes and diaryleth,
Z. Naturforsch., 1972, 27, 534. [all data]
McLafferty, Wachs, et al., 1970
McLafferty, F.W.; Wachs, T.; Lifshitz, C.; Innorta, G.; Irving, P.,
Substituent effects in unimolecular ion decompositions. XV. Mechanistic interpretations and the quasi-equilibrium theory,
J. Am. Chem. Soc., 1970, 92, 6867. [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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