1-Butanone, 1-(4-chlorophenyl)-
- Formula: C10H11ClO
- Molecular weight: 182.647
- IUPAC Standard InChI: InChI=1S/C10H11ClO/c1-2-3-10(12)8-4-6-9(11)7-5-8/h4-7H,2-3H2,1H3
- IUPAC Standard InChIKey: XLCJPQYALLFIPW-UHFFFAOYSA-N
- CAS Registry Number: 4981-63-9
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
View 3d structure (requires JavaScript / HTML 5) - Other names: Butyrophenone, 4'-chloro-; p-Chlorobutyrophenone; 4-Chlorophenyl propyl ketone; 4'-Chlorobutyrophenone; 1-[4-(chloromethyl)phenyl]-1-butanone; 1-(4-Chlorophenyl)-1-butanone
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Gas phase ion energetics data
Go To: Top, Gas Chromatography, 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: Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Ionization energy determinations
| IE (eV) | Method | Reference |
|---|---|---|
| 9.0 ± 0.2 | EI | McLafferty and Wachs, 1967 |
Gas Chromatography
Go To: Top, Gas phase ion energetics data, 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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | OV-101 | 1586. | Zenkevich and Makarov, 2007 | N2, 6. K/min; Column length: 25. m; Column diameter: 0.2 mm; Tstart: 60. C; Tend: 240. C |
References
Go To: Top, Gas phase ion energetics data, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
McLafferty and Wachs, 1967
McLafferty, F.W.; Wachs, T.,
Substituent effects in unimolecular ion decompositions. IX. Specific hydrogenrearrangement in butyrophenones,
J. Am. Chem. Soc., 1967, 89, 5043. [all data]
Zenkevich and Makarov, 2007
Zenkevich, I.G.; Makarov, A.A.,
Identification of Alkylarene Chloromethylation Products Using Gas-Chromatographic Retention Indices,
Russian Journal of General Chemistry, 2007, 77, 4, 611-619, https://doi.org/10.1134/S1070363207040196
. [all data]
Notes
Go To: Top, Gas phase ion energetics data, Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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