Benzene, cyclobutyl-
- Formula: C10H12
- Molecular weight: 132.2023
- IUPAC Standard InChI: InChI=1S/C10H12/c1-2-5-9(6-3-1)10-7-4-8-10/h1-3,5-6,10H,4,7-8H2
- IUPAC Standard InChIKey: UJMBCHVRTIOTKC-UHFFFAOYSA-N
- CAS Registry Number: 4392-30-7
- 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: Cyclobutane, phenyl-; Cyclobutylbenzene; Phenylcyclobutane
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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 C10H12+ (ion structure unspecified)
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 8.77 | EI | Dass and Gross, 1985 | LBLHLM |
| 8.0 | EI | Mikaya, Zaikin, et al., 1979 | LLK |
| 8.4 | PE | Bruckmann and Klessinger, 1974 | LLK |
| 8.77 | PE | Bruckmann and Klessinger, 1974 | Vertical value; LLK |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C8H8+ | 9.00 ± 0.02 | C2H4 | EI | Zaikin, Mikaya, et al., 1981 | LLK |
| C8H8+ | 9.5 | C2H4 | EI | Mikaya, Zaikin, et al., 1979 | 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.
Dass and Gross, 1985
Dass, C.; Gross, M.L.,
The question of cyclic versus acyclic ions: The structure of [C6H10]+ gas phase ions,
Org. Mass Spectrom., 1985, 20, 34. [all data]
Mikaya, Zaikin, et al., 1979
Mikaya, A.I.; Zaikin, V.G.; Finkel'stein, E.S.; Vdovin, V.M.,
Mass-spectrometric investigation of aromatic derivatives of cycloalkanes and cycloalkanols,
Izv. Akad. Nauk SSSR, Ser. Khim., 1979, 10, 2221. [all data]
Bruckmann and Klessinger, 1974
Bruckmann, P.; Klessinger, M.,
Photoelektronenspektren organischer verbindungen. V. Wechselwirkung kleiner ringe mit π-systemen,
Chem. Ber., 1974, 107, 1108. [all data]
Zaikin, Mikaya, et al., 1981
Zaikin, V.G.; Mikaya, A.I.; Finkel'shtein, E.Sh.; Vdovin, V.M.; Nametkin, N.S.,
Heats of formation of phenylcycloalkanes,
Dokl. Phys. Chem., 1981, 253, 620. [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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