Benzene, (2-methylpropyl)-
- Formula: C10H14
- Molecular weight: 134.2182
- IUPAC Standard InChI: InChI=1S/C10H14/c1-9(2)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
- IUPAC Standard InChIKey: KXUHSQYYJYAXGZ-UHFFFAOYSA-N
- CAS Registry Number: 538-93-2
- 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: Benzene, isobutyl-; Isobutylbenzene; 2-Methyl-1-phenylpropane; (2-Methylpropyl)benzene; i-Butylbenzene; 1-Phenylisobutane; 1-Phenyl-2-methylpropane
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Gas Chromatography
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
Kovats' RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | HP-1 | 60. | 990. | Zhang, Li, et al., 1992 | N2; Column length: 25. m; Column diameter: 0.20 mm |
| Capillary | HP-1 | 60. | 990. | Zhang, Li, et al., 1992 | N2; Column length: 25. m; Column diameter: 0.20 mm |
| Capillary | OV-101 | 100. | 1002. | Dimov and Mekenyan, 1989 | Column length: 50. m; Column diameter: 0.25 mm |
| Capillary | OV-101 | 100. | 1003. | Engewald, Topalova, et al., 1987 | Column length: 50. m; Column diameter: 0.30 mm |
| Capillary | OV-101 | 100. | 1002. | Boneva, Papazova, et al., 1983 | N2; Column length: 85. m; Column diameter: 0.28 mm |
| Capillary | OV-101 | 100. | 1002. | Boneva, Papazova, et al., 1983 | N2; Column length: 85. m; Column diameter: 0.28 mm |
| Capillary | OV-101 | 110. | 1004. | Boneva, Papazova, et al., 1983 | N2; Column length: 85. m; Column diameter: 0.28 mm |
| Capillary | OV-101 | 90. | 999. | Boneva, Papazova, et al., 1983 | N2; Column length: 85. m; Column diameter: 0.28 mm |
| Capillary | DB-1 | 60. | 990.5 | Lubeck and Sutton, 1983 | Column length: 60. m; Column diameter: 0.264 mm |
| Capillary | DB-1 | 60. | 990.9 | Lubeck and Sutton, 1983 | 60. m/0.259 mm/1. μm |
| Capillary | SE-30 | 70. | 994.3 | Tóth, 1983 | N2; Column length: 15. m; Column diameter: 0.25 mm |
| Capillary | Squalane | 86. | 985.5 | Macák, Nabivach, et al., 1982 | N2; Column length: 50. m; Column diameter: 0.25 mm |
| Capillary | Squalane | 96. | 988.3 | Macák, Nabivach, et al., 1982 | N2; Column length: 50. m; Column diameter: 0.25 mm |
| Packed | Squalane | 100. | 989. | Nabivach and Kirilenko, 1980 | He, Chromaton N-AW-HMDS; Column length: 1. m |
| Capillary | Squalane | 86. | 985.2 | Nabivach and Kirilenko, 1979 | N2; Column length: 50. m |
| Capillary | Squalane | 86. | 985.5 | Nabivach and Kirilenko, 1979 | N2; Column length: 50. m |
| Capillary | Squalane | 96. | 988.3 | Nabivach, Bur'yan, et al., 1978 | Column length: 50. m; Column diameter: 0.25 mm |
| Capillary | Squalane | 100. | 991. | Engewald and Wennrich, 1976 | N2; Column length: 100. m; Column diameter: 0.23 mm |
| Capillary | Squalane | 100. | 986.7 | Lulova, Leont'eva, et al., 1976 | He; Column length: 120. m; Column diameter: 0.25 mm |
| Capillary | Squalane | 100. | 986.7 | Lulova, Leont'eva, et al., 1976 | He; Column length: 120. m; Column diameter: 0.25 mm |
| Capillary | Squalane | 80. | 982.35 | Soják and Rijks, 1976 | H2; Column length: 100. m; Column diameter: 0.25 mm |
| Capillary | SE-30 | 65. | 993.1 | Svob, Deur-Siftar, et al., 1974 | He; Column length: 25.5 m; Column diameter: 0.5 mm |
| Capillary | SE-30 | 65. | 993.1 | Svob and Deur-Siftar, 1974 | He; Column length: 25.5 m; Column diameter: 0.5 mm |
| Capillary | Squalane | 100. | 989.8 | Svob and Deur-Siftar, 1974 | He; Column length: 10.5 m; Column diameter: 0.25 mm |
| Packed | Apiezon L | 100. | 1014. | Bonastre and Grenier, 1967 | Chromosorb P; Column length: 10. m |
| Packed | Apiezon L | 80. | 1010. | Bonastre and Grenier, 1967 | Chromosorb P; Column length: 10. m |
| Packed | Squalane | 120. | 985. | Bonastre and Grenier, 1967 | Chromosorb P; Column length: 6. m |
| Packed | Squalane | 140. | 995. | Bonastre and Grenier, 1967 | Chromosorb P; Column length: 6. m |
| Packed | Methyl Silicone | 130. | 1012. | Antheaume and Guiochon, 1965 |
Kovats' RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 1008.2 | Wang, Fingas, et al., 1994 | 30. m/0.32 mm/0.25 μm, He, 50. C @ 2. min, 6. K/min; Tend: 300. C |
| Capillary | OV-101 | 992. | Hayes and Pitzer, 1982 | 110. m/0.25 mm/0.20 μm, He, 1. K/min; Tstart: 35. C; Tend: 200. C |
| Capillary | Apiezon L | 1008. | Louis, 1971 | N2, 1. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 60. C |
Kovats' RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Petrocol DH-100 | 995.7 | Haagen-Smit Laboratory, 1997 | He; Column length: 100. m; Column diameter: 0.2 mm; Program: 5C(10min) => 5C/min => 50C(48min) => 1.5C/min => 195C(91min) |
| Capillary | DB-1 | 992. | Hoekman, 1993 | 60. m/0.32 mm/1.0 μm, He; Program: -40 C for 12 min; -40 - 125 C at 3 deg.min; 125-185 C at 6 deg/min; 185 - 220 C at 20 deg/min; hold 220 C for 2 min |
Kovats' RI, polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | Carbowax 20M | 150. | 1217. | Egazaryants and Maximov, 1998 | He; Column length: 15. m; Column diameter: 0.5 mm |
| Capillary | Carbowax 20M | 150. | 1220. | Egazaryants and Maximov, 1998 | He; Column length: 15. m; Column diameter: 0.5 mm |
| Capillary | PEG-20M | 70. | 1241.3 | Tóth, 1983 | N2; Column length: 30. m; Column diameter: 0.3 mm |
| Capillary | Carbowax 20M | 100. | 1235.9 | Engewald and Wennrich, 1976 | N2; Column length: 100. m; Column diameter: 0.23 mm |
| Capillary | Carbowax 20M | 90. | 1215.9 | Döring, Estel, et al., 1974 | Column length: 100. m; Column diameter: 0.2 mm |
| Packed | Polyethylene Glycol 4000 | 100. | 1259. | Bonastre and Grenier, 1967 | Chromosorb P; Column length: 6. m |
| Packed | Polyethylene Glycol 4000 | 120. | 1268. | Bonastre and Grenier, 1967 | Chromosorb P; Column length: 6. m |
| Packed | Polyethylene Glycol 4000 | 140. | 1276. | Bonastre and Grenier, 1967 | Chromosorb P; Column length: 6. m |
| Packed | Polyethylene Glycol 4000 | 80. | 1251. | Bonastre and Grenier, 1967 | Chromosorb P; Column length: 6. m |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | PONA | 997. | Vendeuvre, Bertoncini, et al., 2005 | 50. m/0.2 mm/0.5 μm, 2. K/min; Tstart: 50. C |
| Capillary | PONA | 1001. | Vendeuvre, Bertoncini, et al., 2005 | 50. m/0.2 mm/0.5 μm, 5. K/min; Tstart: 50. C |
| Capillary | DB-1 | 989.5 | Sun and Stremple, 2003 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 40. C; Tend: 325. C |
| Capillary | DB-5 | 1014.9 | Xu, van Stee, et al., 2003 | 30. m/0.25 mm/1. μm, He, 2.5 K/min; Tstart: 50. C; Tend: 200. C |
| Capillary | HP-5 | 1009. | Isidorov, Krajewska, et al., 2001 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 40. C; Tend: 180. C |
| Capillary | OV-101 | 997.2 | Yin, Liu, et al., 2001 | N2, 1. K/min; Column length: 80. m; Column diameter: 0.22 mm; Tstart: 30. C; Tend: 130. C |
| Capillary | CP Sil 8 CB | 998. | Yassaa, Meklati, et al., 1999 | 25. m/0.2 mm/0.25 μm, 40. C @ 8. min, 2. K/min; Tend: 200. C |
| Capillary | PONA | 991.3 | Martos, Saraullo, et al., 1997 | 50. m/0.2 mm/0.5 μm, 35. C @ 0.5 min, 1. K/min, 220. C @ 8. min |
| Capillary | PONA | 992.7 | Martos, Saraullo, et al., 1997 | 50. m/0.2 mm/0.5 μm, 35. C @ 0.5 min, 1. K/min, 220. C @ 8. min |
| Capillary | Petrocol DH | 994.39 | White, Douglas, et al., 1992 | 100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C |
| Capillary | Petrocol DH | 994.48 | White, Douglas, et al., 1992 | 100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C |
| Capillary | Petrocol DH | 994. | White, Hackett, et al., 1992 | 100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C |
| Capillary | Ultra-1 | 988.86 | Haynes and Pitzer, 1985 | 50. m/0.22 mm/0.33 μm, He, 1. K/min; Tstart: -30. C; Tend: 240. C |
| Capillary | Ultra-1 | 992.41 | Haynes and Pitzer, 1985 | 50. m/0.22 mm/0.33 μm, He, 2. K/min; Tstart: -30. C; Tend: 240. C |
| Capillary | Ultra-1 | 994.66 | Haynes and Pitzer, 1985 | 50. m/0.22 mm/0.33 μm, He, 3. K/min; Tstart: -30. C; Tend: 240. C |
| Capillary | Ultra-2 | 1004.03 | Haynes and Pitzer, 1985 | 50. m/0.22 mm/0.33 μm, He, 1. K/min; Tstart: -30. C; Tend: 240. C |
| Capillary | Ultra-2 | 1007.86 | Haynes and Pitzer, 1985 | 50. m/0.22 mm/0.33 μm, He, 2. K/min; Tstart: -30. C; Tend: 240. C |
| Capillary | Ultra-2 | 1010.66 | Haynes and Pitzer, 1985 | 50. m/0.22 mm/0.33 μm, He, 3. K/min; Tstart: -30. C; Tend: 240. C |
| Capillary | OV-101 | 992. | Hayes and Pitzer, 1981 | 108. m/0.25 mm/0.2 μm, 1. K/min; Tstart: 35. C; Tend: 200. C |
Van Den Dool and Kratz RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Supelcowax-10 | 1250. | Elmore, Nisyrios, et al., 2005 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 4. K/min; Tend: 280. C |
Van Den Dool and Kratz RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-Wax | 1270.6 | Yang, Chyau, et al., 1998 | He; Column length: 50. m; Column diameter: 0.32 mm; Program: 50C => 2.5C/min => 150C => 1.5C/min => 210C |
Normal alkane RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | OV-101 | 100. | 1006. | Tian, 1993 | Column length: 50. m; Column diameter: 0.20 mm |
| Capillary | OV-101 | 100. | 1006. | Tian, 1993 | Column length: 50. m; Column diameter: 0.20 mm |
| Capillary | OV-101 | 120. | 1012. | Tian, 1993 | Column length: 50. m; Column diameter: 0.20 mm |
| Capillary | OV-101 | 120. | 1012. | Tian, 1993 | Column length: 50. m; Column diameter: 0.20 mm |
| Capillary | Squalane | 95.4 | 982. | Sojak and Vigdergauz, 1978 | H2 |
| Capillary | Squalane | 110. | 993. | Papazova and Pankova, 1975 | N2; Column length: 100. m; Column diameter: 0.25 mm |
| Capillary | Squalane | 130. | 998. | Papazova and Pankova, 1975 | N2; Column length: 100. m; Column diameter: 0.25 mm |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Polydimethyl siloxane: CP-Sil 5 CB | 996. | Bramston-Cook, 2013 | 60. m/0.25 mm/1.0 μm, Helium, 45. C @ 1.45 min, 3.6 K/min, 210. C @ 2.72 min |
| Capillary | HP-5 MS | 1003. | Kotowska, Zalikowski, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium, 35. C @ 5. min, 3. K/min, 300. C @ 15. min |
| Capillary | Petrocol DH | 998. | Supelco, 2012 | 100. m/0.25 mm/0.50 μm, Helium, 20. C @ 15. min, 15. K/min, 220. C @ 30. min |
| Capillary | HP-5 | 1012.1 | Wang and Fingas, 1995 | 30. m/0.25 mm/0.25 μm, He, 35. C @ 2. min, 10. K/min, 300. C @ 10. min |
| Capillary | CP Sil 5 CB | 992. | Hartgers, Damste, et al., 1992 | 25. m/0.32 mm/0.45 μm, He, 0. C @ 5. min, 3. K/min, 320. C @ 10. min |
| Capillary | OV-101 | 992. | Zenkevich and Ventura, 1991 | Helium, 50. C @ 0. min, 5. K/min, 240. C @ 0. min; Column length: 54. m; Column diameter: 0.26 mm |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5 MS | 1009. | Kotowska, Zalikowski, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
| Capillary | Polymethylsiloxane, (PMS-20000) | 994. | Cornwell and Cordano, 2003 | Program: not specified |
| Capillary | Methyl Silicone | 996. | Spieksma, 1999 | Program: not specified |
| Capillary | Methyl Silicone | 997. | Zenkevich, 1999 | Program: not specified |
| Capillary | Polydimethyl siloxanes | 997. | Zenkevich and Chupalov, 1996 | Program: not specified |
| Capillary | DB-1 | 993. | Ciccioli, Cecinato, et al., 1994 | 60. m/0.32 mm/0.25 μm; Program: not specified |
| Capillary | Squalane | 989.9 | Dimov and Mekenyan, 1989 | Program: not specified |
| Capillary | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 992. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
| Capillary | Methyl Silicone | 1002. | Bonchev, Mekenjan, et al., 1979 | Program: not specified |
Normal alkane RI, polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | Carbowax 20M | 90. | 1216. | Sutter, Peterson, et al., 1997 |
Normal alkane RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Carbowax 20M | 1204. | Herain, MRAVEC, et al., 1991 | 70. C @ 21. min, 5. K/min, 150. C @ 999. min |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Carbowax 20M | 1241. | Cornwell and Cordano, 2003 | Program: not specified |
| Capillary | Carbowax 20M | 1216. | Ivanciuc, Ivanciuc, et al., 2001 | Program: not specified |
| Capillary | Carbowax 20M | 1228. | Dimov and Mekenyan, 1989 | Program: not specified |
References
Go To: Top, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Zhang, Li, et al., 1992
Zhang, M.J.; Li, S.D.; Chen, B.J.,
Compositional studies of high-temperature coal tar by GC/FTIR analysis of light oil fractions,
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Quantitative Relationships Between the Structure of Alkylbenzenes and Their Gas Chromatographic Retention on Stationary Phasses with Different Polarity,
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Engewald, Topalova, et al., 1987
Engewald, W.; Topalova, I.; Petsev, N.; Dimitrov, Chr.,
Structure-Retention Correlations of Hydrocarbons in GLC and GSC. Alkenylbenzenes,
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Boneva, Papazova, et al., 1983
Boneva, St.; Papazova, D.; Dimov, N.,
Retention Indices of aromatic hydrocarbons on glass and metal capillary columns with stationary phase OV-101,
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Kovats retention indices of selected hydrocarbons through C10 on bonded phase fused silica capillaries,
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Use of capillary gas chromatography in collecting retention and chemical information for the analysis of complex petrochemical mixtures,
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Dependence of retention indices of alkylbenzenes on their molecular structure,
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Relationship between the gas chromatographic behaviour and the molecular structure of hydrocarbon samples and various stationary phases. Part II. Correlation between the retention index, physicochemical properties and molecular structure,
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The use of retention indices for identifying the components of crude benzene,
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Retention indices of aromatic hydrocarbons on a squalane capillary column,
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Molekülstruktur und Retentionsverhalten. VIII. Zum Retentionsverhalten höherer Alkylbenzole bei der Gas-Verteilungs-Chromatographie,
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Gas-chromatographic method of determination of individual hydrocarbons in catalytic cracking gasolines
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Kovats Retention Indices in the Identification of Alkylbenzene Degradation Products,
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Notes
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