4-Butylbenzonitrile
- Formula: C11H13N
- Molecular weight: 159.2276
- IUPAC Standard InChI: InChI=1S/C11H13N/c1-2-3-4-10-5-7-11(9-12)8-6-10/h5-8H,2-4H2,1H3
- IUPAC Standard InChIKey: KGZNJCXNPLUEQS-UHFFFAOYSA-N
- CAS Registry Number: 20651-73-4
- 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: Benzonitrile,4-butyl-; 1-Butyl-4-cyanobenzene
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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:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 10.1 ± 0.1 | EI | Lightner, Majeti, et al., 1972 | LLK |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C8H6N+ | 12.7 ± 0.1 | ? | EI | Lightner, Majeti, et al., 1972 | LLK |
| C8H7N+ | 11.7 ± 0.1 | CH2=CHCH3 | EI | Lightner, Majeti, et al., 1972 | 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.
Lightner, Majeti, et al., 1972
Lightner, D.A.; Majeti, S.; Nicoletti, R.; Thommen, E.,
Benzyl vs. tropylium ions in the electron impact induced decomposition of n- butylbenzenes,
Intra-Sci. Chem. Rep., 1972, 6, 113. [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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