Benzene, (2-methylpropyl)-
- Formula: C10H14
- Molecular weight: 134.2182
- 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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Mass spectrum (electron ionization)
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: 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 | Japan AIST/NIMC Database- Spectrum MS-NW- 147 |
NIST MS number | 228740 |
Gas Chromatography
Go To: Top, Mass spectrum (electron ionization), 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, 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.
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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Structure-Retention Correlations of Hydrocarbons in GLC and GSC. Alkenylbenzenes,
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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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Notes
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