Butane, 2-methyl-
- Formula: C5H12
- Molecular weight: 72.1488
- IUPAC Standard InChIKey: QWTDNUCVQCZILF-UHFFFAOYSA-N
- CAS Registry Number: 78-78-4
- 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: iso-Pentane; 1,1,2-Trimethylethane; 2-Methylbutane; iso-C5H12; Ethyldimethylmethane; Isoamylhydride; Exxsol isopentane S; 1,1-Dimethylpropane; Methylbutane; NSC 119476
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IR Spectrum
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, References, Notes
Data compiled by: Coblentz Society, Inc.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Mass spectrum (electron ionization)
Go To: Top, IR Spectrum, 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 | D.HENNEBERG, MAX-PLANCK INSTITUTE, MULHEIM, WEST GERMANY |
NIST MS number | 61287 |
Gas Chromatography
Go To: Top, IR Spectrum, 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 | Squalane | 100. | 475. | Heinzen, Soares, et al., 1999 | |
Capillary | CP Sil 2 | 60. | 474.2 | Estel, Mohnke, et al., 1995 | 100. m/0.25 mm/0.25 μm |
Capillary | OV-101 | 40. | 469. | Laub and Purnell, 1988 | |
Capillary | OV-101 | 60. | 470. | Laub and Purnell, 1988 | |
Capillary | OV-101 | 80. | 470. | Laub and Purnell, 1988 | |
Capillary | Squalane | 50. | 475.8 | Lunskii and Paizanskaya, 1988 | He; Column length: 50. m; Column diameter: 0.22 mm |
Capillary | Squalane | 70. | 475.4 | Lunskii and Paizanskaya, 1988 | He; Column length: 50. m; Column diameter: 0.22 mm |
Capillary | Squalane | 50. | 474.9 | Papazova, Milina, et al., 1988 | Column length: 50. m; Column diameter: 0.25 mm |
Capillary | OV-1 | 20. | 468. | Nijs and Jacobs, 1981 | He; Column length: 150. m; Column diameter: 0.50 mm |
Capillary | Squalane | 50. | 474.9 | Bajus, Veselý, et al., 1979 | Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 70. | 474.5 | Bajus, Veselý, et al., 1979 | Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 50. | 475.4 | Bajus, Veselý, et al., 1979, 2 | Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 70. | 475. | Bajus, Veselý, et al., 1979, 2 | Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 60. | 475. | Chretien and Dubois, 1976 | |
Capillary | Squalane | 100. | 475.6 | Lulova, Leont'eva, et al., 1976 | He; Column length: 120. m; Column diameter: 0.25 mm |
Capillary | Squalane | 50. | 475. | Rijks and Cramers, 1974 | N2; Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 70. | 476. | Rijks and Cramers, 1974 | N2; Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 27. | 474.37 | Schomburg and Dielmann, 1973 | Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Vacuum Grease Oil (VM-4) | 35. | 470. | Sidorov, Petrova, et al., 1972 | |
Capillary | Vacuum Grease Oil (VM-4) | 45. | 470. | Sidorov, Petrova, et al., 1972 | |
Capillary | Vacuum Grease Oil (VM-4) | 50. | 471. | Sidorov, Petrova, et al., 1972 | |
Capillary | Vacuum Grease Oil (VM-4) | 58. | 471. | Sidorov, Petrova, et al., 1972 | |
Capillary | Vacuum Grease Oil (VM-4) | 68. | 472. | Sidorov, Petrova, et al., 1972 | |
Packed | Squalane | 100. | 477. | Robinson and Odell, 1971 | N2, Embacel; Column length: 3.0 m |
Capillary | Squalane | 40. | 476. | Matukuma, 1969 | N2; Column length: 91.4 m; Column diameter: 0.25 mm |
Packed | Squalane | 27. | 474. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
Packed | Squalane | 49. | 475. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
Packed | Squalane | 67. | 476. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
Packed | Squalane | 86. | 476. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
Packed | Squalane | 30. | 474. | Tourres, 1967 | H2; Column length: 10. m |
Packed | Squalane | 50. | 474. | Tourres, 1967 | H2; Column length: 10. m |
Capillary | Squalane | 30. | 474. | Tourres, 1967, 2 | H2; Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 50. | 474. | Tourres, 1967, 2 | H2; Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 70. | 474. | Tourres, 1967, 2 | H2; Column length: 100. m; Column diameter: 0.25 mm |
Packed | SE-30 | 70. | 478. | Widmer, 1967 | Diatoport S; Column length: 7.9 m |
Packed | Squalane | 100. | 477. | Evans, 1966 | Untreated celite; Column length: 1.8 m |
Packed | Squalane | 22. | 474. | Evans, 1966 | Untreated celite; Column length: 1.8 m |
Packed | Squalane | 30. | 474. | Evans, 1966 | Untreated celite; Column length: 1.8 m |
Packed | Squalane | 40. | 475. | Evans, 1966 | Untreated celite; Column length: 1.8 m |
Packed | Squalane | 55. | 473. | Evans, 1966 | Untreated celite; Column length: 1.8 m |
Packed | Squalane | 60. | 475. | Evans, 1966 | Untreated celite; Column length: 1.8 m |
Packed | Squalane | 70. | 474. | Evans, 1966 | Untreated celite; Column length: 1.8 m |
Packed | Squalane | 80. | 476. | Evans, 1966 | Untreated celite; Column length: 1.8 m |
Packed | Squalane | 26. | 476. | Zulaïca and Guiochon, 1966 | Column length: 10. m |
Kovats' RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | OV-101 | 465. | 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 | 461. | 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 | 477.5 | 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 | 477. | 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 |
---|---|---|---|---|---|
Packed | Carbowax 20M | 130. | 467. | Widmer, 1967 | Diatoport P; Column length: 7.9 m |
Packed | Carbowax 20M | 70. | 471. | Widmer, 1967 | Diatoport P; Column length: 7.9 m |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Petrocol DH | 464.9 | Censullo, Jones, et al., 2003 | 50. m/0.25 mm/0.5 μm, He, 35. C @ 10. min, 3. K/min, 200. C @ 10. min |
Capillary | OV-101 | 466.1 | 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 | Petrocol DH | 465.35 | Subramaniam, Bochniak, et al., 1994 | 100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C |
Capillary | Petrocol DH | 465.39 | Subramaniam, Bochniak, et al., 1994 | 100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C |
Capillary | Ultra-1 | 467. | Olson, Sinkevitch, et al., 1992 | 4. K/min; Tstart: -40. C; Tend: 230. C |
Capillary | Petrocol DH | 465.11 | 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 | 465.18 | White, Douglas, et al., 1992 | 100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C |
Capillary | OV-101 | 465. | 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, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | OV-101 | 466. | Wu and Lu, 1984 | Program: not specified |
Normal alkane RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | OV-101 | 40. | 474. | Li and Deng, 1998 | N2; Column length: 51. m; Column diameter: 0.25 mm |
Capillary | Methyl Silicone | 50. | 475. | N/A | N2; Column length: 74.6 m; Column diameter: 0.28 mm |
Capillary | OV-101 | 50. | 474. | Wu and Lu, 1984, 2 | |
Capillary | OV-101 | 70. | 475. | Wu and Lu, 1984, 2 | |
Packed | Methyl Silicone | 50. | 475. | Huguet, 1961 | Nitrogen, Celite C-22; Column length: 2.5 m |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Polydimethyl siloxane: CP-Sil 5 CB | 475. | 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 | Petrocol DH | 476. | Supelco, 2012 | 100. m/0.25 mm/0.50 μm, Helium, 20. C @ 15. min, 15. K/min, 220. C @ 30. min |
Capillary | Ultra-ALLOY-5 | 480. | Tsuge, Ohtan, et al., 2011 | 30. m/0.25 mm/0.25 μm, 40. C @ 2. min, 20. K/min, 320. C @ 13. min |
Capillary | HP-5 MS | 474. | Zenkevich, Makarov A.A., et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium, 2. K/min, 220. C @ 10. min; Tstart: 50. C |
Capillary | PONA | 465. | Zhang, Ding, et al., 2009 | 50. m/0.20 mm/0.50 μm, Nitrogen, 35. C @ 15. min, 2. K/min, 200. C @ 10. min |
Capillary | OV-1 | 466.2 | Krkosova, Kubinec, et al., 2007 | 100. m/0.32 mm/0.25 μm, Helium, 5. K/min, 310. C @ 5. min; Tstart: 30. C |
Capillary | SE-54 | 464. | Guan, Li, et al., 1995 | 60. C @ 2. min, 4. K/min; Column length: 50. m; Column diameter: 0.32 mm; Tend: 200. C |
Capillary | DB-1 | 464. | Ciccioli, Cecinato, et al., 1992 | 60. m/0.32 mm/1.2 μm, He, 30. C @ 10. min, 3. K/min; Tend: 240. C |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Nonpolar | 475. | Staples and Zeiger, 2008 | Program: not specified |
Capillary | Methyl Silicone | 476. | Chen and Feng, 2007 | Program: not specified |
Capillary | Methyl Silicone | 475. | Feng and Mu, 2007 | Program: not specified |
Capillary | Methyl Silicone | 475. | Blunden, Aneja, et al., 2005 | 60. m/0.32 mm/1.0 μm, Helium; Program: -50 0C (2 min) 8 0C/min -> 200 0C (7.75 min) 25 0C -> 225 0C (8 min) |
Capillary | OV-101 | 475. | Du and Liang, 2003 | Program: not specified |
Capillary | Polydimethyl siloxane | 475. | Junkes, Castanho, et al., 2003 | Program: not specified |
Capillary | PONA | 477. | Perkin Elmer Instruments, 2002 | Column length: 100. m; Phase thickness: 0.50 μm; Program: not specified |
Capillary | Polydimethyl siloxanes | 466. | Yin, Guo, et al., 2001 | Program: not specified |
Capillary | Methyl Silicone | 472. | Spieksma, 1999 | Program: not specified |
Capillary | Methyl Silicone | 474. | Xu, Chu, et al., 1995 | Program: not specified |
Capillary | SE-52 | 467. | van Langenhove and Schamp, 1986 | Column length: 100. m; Column diameter: 0.50 mm; Program: not specified |
Packed | SE-30 | 476. | Robinson and Odell, 1971 | N2, Chromosorb W; Column length: 6.1 m; Program: 50C910min) => 20C/min => 90(6min) => 10C/min => 150C(hold) |
Packed | Squalane | 476. | Robinson and Odell, 1971 | N2, Embacel; Column length: 3.0 m; Program: 25C(5min) => 2C/min => 35 => 4C/min => 95C(hold) |
Packed | SE-30 | 476. | Robinson and Odell, 1971, 2 | Chrom W; Column length: 6.1 m; Program: 50C(10min) => 20C/min(2min) => 90C(6min) => 10C/min(6min) => (hold at 150C) |
Packed | Squalane | 476. | Robinson and Odell, 1971, 2 | Embacel; Column length: 3.0 m; Program: 25C(5min) => 2C/min(5min) => 4C/min(15min) => (hold at 95C) |
References
Go To: Top, IR Spectrum, 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.
Heinzen, Soares, et al., 1999
Heinzen, V.E.F.; Soares, M.F.; Yunes, R.A.,
Semi-empirical topological method for the prediction of the chromatographic retention of cis- and trans-alkene isomers and alkanes,
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Estel, Mohnke, et al., 1995
Estel, D.; Mohnke; Biermans; Rotzsche,
The analysis of C4-C11 hydrocarbons in naphtha and reformate with a new apolar fused silica column,
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Laub and Purnell, 1988
Laub, R.J.; Purnell, J.H.,
Specific retention volumes, retention indices, and family-plot regressions of aliphatic, alicyclic, and aromatic hydrocarbon solutes with OV-101 poly (dimethylsiloxane) stationary phase,
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Lunskii, M.Kh.; Paizanskaya, I.L.,
Identification of hydrocarbons C1-C9 of petrol fractions of oils and condensates in the use of capillary columns with dinonylphthalate,
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Comparative evaluation of retention of hydrocarbons present in the C5-petroleum fraction of methylsilicone and squalane phases,
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On-Line Single Run Analysis of Effluents from a Fischer-Tropsch Reactor,
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Steam cracking of hydrocarbons. 2. Pyrolysis of methylcyclohexane,
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Bajus, Veselý, et al., 1979, 2
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Steam cracking of hydrocarbons. 1. Pyrolysis of heptane,
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Chretien, J.R.; Dubois, J.-E.,
New Perspectives in the Prediction of Kovats Indices,
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Lulova, N.I.; Leont'eva, S.A.; Timofeeva, A.N.,
Gas-chromatographic method of determination of individual hydrocarbons in catalytic cracking gasolines
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Rijks, J.A.; Cramers, C.A.,
High precision capillary gas chromatography of hydrocarbons,
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Identification by means of retention parameters,
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Robinson, P.G.; Odell, A.L.,
A system of standard retention indices and its uses. The characterisation of stationary phases and the prediction of retention indices,
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Matukuma, A.,
Retention indices of alkanes through C10 and alkenes through C8 and relation between boiling points and retention data,
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Hively, R.A.; Hinton, R.E.,
Variation of the retention index with temperature on squalane substrates,
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Tourres, D.A.,
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Gas chromatographic identification of hydrocarbons using retention indices,
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Evans, M.B.,
Retention indices of solutes on squalane, dinonyl phthalate, and polyethylene glycol 400,
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Characterizing petroleum- and shale-derived jet fuel distillates via temperature-programmed Kováts indices,
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Louis, R.,
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Olson, K.L.; Sinkevitch, R.M.; Sloane, T.M.,
Speciation and Quantitation of Hydrocarbons in Gasoline Engine Exhaust,
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Qualitative analysis of light components of gasoline cracking using Kovats retention indices,
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Wu and Lu, 1984, 2
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Kovats indices of C4-C10 hydrocarbons in apolar quartz capillary OV-101,
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Huguet, M.,
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Bramston-Cook, 2013
Bramston-Cook, R.,
Kovats indices for C2-C13 hydrocarbons and selected oxygenated/halocarbons with 100 % dimethylpolysiloxane columns, 2013, retrieved from http://lotusinstruments.com/monographs/List .... [all data]
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Notes
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