Benzene, pentyl-
- Formula: C11H16
- Molecular weight: 148.2447
- IUPAC Standard InChIKey: PWATWSYOIIXYMA-UHFFFAOYSA-N
- CAS Registry Number: 538-68-1
- 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: n-Amylbenzene; n-Pentylbenzene; Amylbenzene; Pentane, 1-phenyl-; Pentylbenzene; 1-Phenyl-n-pentane; 1-Phenylpentane; Phenylpentane; Benzene, n-pentyl-; NSC 73982; 74296-33-6
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Normal alkane RI, non-polar column, custom temperature program
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 by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Polydimethyl siloxane with 5 % Ph groups | Polydimethyl siloxane with 5 % Ph groups | BP-5 | BP-5 | Methyl Silicone |
Column length (m) | 25. | 25. | |||
Carrier gas | Helium | Helium | |||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | |||
Phase thickness (μm) | 0.50 | 0.50 | |||
Program | not specified | not specified | 60 0C 6 0C/min -> 210 0C 10 0C/min -> 290 0C (10 min) | not specified | not specified |
I | 1154. | 1162. | 1166. | 1157. | 1143. |
Reference | Robinson, Adams, et al., 2012 | Robinson, Adams, et al., 2012 | Eyres, Dufour, et al., 2005 | Eyres, Dufour, et al., 2005 | Zenkevich and Marinichev, 2001 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Methyl Silicone | OV-101 | Squalane | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. |
Column length (m) | 52. | 50. | 50. | ||
Carrier gas | H2 | Hydrogen | Hydrogen | ||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.32 | ||
Phase thickness (μm) | 0.38 | ||||
Program | not specified | 70 - 160 C at 1.5 deg/min; 160 - 280 C at 15 deg/min 15 min at 280 C | not specified | not specified | not specified |
I | 1143. | 1143. | 1135.5 | 1141. | 1145. |
Reference | Zenkevich and Tsibulskaya, 1997 | Matisová, Juranyiová, et al., 1991 | Dimov and Mekenyan, 1989 | Waggott and Davies, 1984 | Waggott and Davies, 1984 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary |
---|---|
Active phase | Methyl Silicone |
Column length (m) | |
Carrier gas | |
Substrate | |
Column diameter (mm) | |
Phase thickness (μm) | |
Program | not specified |
I | 1146. |
Reference | Bonchev, Mekenjan, et al., 1979 |
Comment | MSDC-RI |
References
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Robinson, Adams, et al., 2012
Robinson, A.L.; Adams, D.O.; Boss, P.K.; Heymann, H.; Solomon, P.S.; Trengove, R.D.,
Influence of geographic origine on the sensory characteristics and wine composition of Vitus viniferas cv. Cabernet Sauvignon wines from Australia (Supplemental data),
Am. J. Enol. Vitic., 2012, 64, 4, 467-476, https://doi.org/10.5344/ajev.2012.12023
. [all data]
Eyres, Dufour, et al., 2005
Eyres, G.; Dufour, J.-P.; Hallifax, G.; Sotheeswaran, S.; Marriott, P.J.,
Identification of character-impact odorants in coriander and wild coriander leaves using gas chromatography-olfactometry (GCO) and comprehensive two-dimensional gas chromatography-time-of-flight mass spectrometry (GC×GC-TOFMS),
J. Sep. Sci., 2005, 28, 9-10, 1061-1074, https://doi.org/10.1002/jssc.200500012
. [all data]
Zenkevich and Marinichev, 2001
Zenkevich, I.G.; Marinichev, A.N.,
Comparison of Topological and Dynamics Molecular Characteristics for Precalculation of Chromatographic Retention Parameters of Organic Compounds (in Russian),
Zh. Struct. Khim., 2001, 42, 5, 893-902. [all data]
Zenkevich and Tsibulskaya, 1997
Zenkevich, I.G.; Tsibulskaya, I.A.,
Group identification of organic compounds by gas-chromatographic retention indices and partition coefficients in the hexane-nitromethane system,
Zh. Fiz. Khim., 1997, 71, 2, 341-346. [all data]
Matisová, Juranyiová, et al., 1991
Matisová, E.; Juranyiová, E.; Kurán, P.; Brandsteterová, E.; Kocan, A.; Holotík, S.,
Analysis of multicomponent mixtures by high-resolution capillary gas chromatography and combined gas chromatography-mass spectrometry. I. Aromatics in a hydrocarbon matrix,
J. Chromatogr., 1991, 552, 301-312, https://doi.org/10.1016/S0021-9673(01)95946-1
. [all data]
Dimov and Mekenyan, 1989
Dimov, N.; Mekenyan, Ov.,
Quantitative Relationships Between the Structure of Alkylbenzenes and Their Gas Chromatographic Retention on Stationary Phasses with Different Polarity,
J. Chromatogr., 1989, 471, 227-236, https://doi.org/10.1016/S0021-9673(00)94170-0
. [all data]
Waggott and Davies, 1984
Waggott, A.; Davies, I.W.,
Identification of organic pollutants using linear temperature programmed retention indices (LTPRIs) - Part II, 1984, retrieved from http://dwi.defra.gov.uk/research/completed-research/reports/dwi0383.pdf. [all data]
Bonchev, Mekenjan, et al., 1979
Bonchev, D.; Mekenjan, Ov.; Protic, G.; Trinajstic, N.,
Application of Topological Indices to Gas Chromatographic Data: Calculation of the Retention Indices of Isomeric Alkylbenzenes,
J. Chromatogr., 1979, 176, 2, 149-156, https://doi.org/10.1016/S0021-9673(00)85645-9
. [all data]
Notes
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, References
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