Benzene, (1-ethylhexyl)-
- Formula: C14H22
- Molecular weight: 190.3245
- IUPAC Standard InChI: InChI=1S/C14H22/c1-3-5-7-10-13(4-2)14-11-8-6-9-12-14/h6,8-9,11-13H,3-5,7,10H2,1-2H3
- IUPAC Standard InChIKey: XEYWPMIXBVMRLE-UHFFFAOYSA-N
- CAS Registry Number: 18335-15-4
- 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: Octane, 3-phenyl-; 3-Phenyloctane
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Mass spectrum (electron ionization)
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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 by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
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| Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Origin | CONTINENTAL OIL CO., PONCA CITY, OKLA, USA |
| NIST MS number | 27551 |
Gas Chromatography
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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 by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Kovats' RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Packed | Squalane | 95.4 | 1322. | Soják, Janák, et al., 1977 |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-1 | 1352. | Zenkevich, Ukolov, et al., 2011 | 30. m/0.32 mm/0.25 μm, Nitrogen, 5. K/min; Tstart: 100. C; Tend: 200. C |
| Capillary | DB-1 | 1355. | Zenkevich, Ukolov, et al., 2011 | 30. m/0.32 mm/0.25 μm, Nitrogen, 5. K/min; Tstart: 100. C; Tend: 200. C |
| Capillary | DB-1 | 1358. | Zenkevich, Ukolov, et al., 2011 | 30. m/0.32 mm/0.25 μm, Nitrogen, 5. K/min; Tstart: 100. C; Tend: 200. C |
| Capillary | DB-1 | 1366. | Zenkevich, Ukolov, et al., 2011 | 30. m/0.32 mm/0.25 μm, Nitrogen, 5. K/min; Tstart: 100. C; Tend: 200. C |
References
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Soják, Janák, et al., 1977
Soják, L.; Janák, J.; Rijks, J.A.,
Capillary gas chromatography of alkylbenzenes. II. Correlations between the structures and methylene group increments and differences in retention indices of isomers,
J. Chromatogr., 1977, 135, 1, 71-84, https://doi.org/10.1016/S0021-9673(00)86303-7
. [all data]
Zenkevich, Ukolov, et al., 2011
Zenkevich, I.G.; Ukolov, A.I.; Kushakova, A.S.; Gustyleva, L.K.,
Identification of isomeric alkylarenes with the use of additive relations for the evaluation of gas-chromatographic retention indices,
Rus. J. Anal. Chem., 2011, 66, 12, 1165-1172, https://doi.org/10.1134/S1061934811120136
. [all data]
Notes
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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