Hexane, 2,2,5-trimethyl-
- Formula: C9H20
- Molecular weight: 128.2551
- IUPAC Standard InChIKey: HHOSMYBYIHNXNO-UHFFFAOYSA-N
- CAS Registry Number: 3522-94-9
- 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: 2,2,5-Trimethylhexane
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Gas phase thermochemistry data
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: Donald R. Burgess, Jr.
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -253.1 | kJ/mol | N/A | Good, 1969 | Value computed using ΔfHliquid° value of -293.3±1 kj/mol from Good, 1969 and ΔvapH° value of 40.21 kj/mol from missing citation. |
Gas Chromatography
Go To: Top, Gas phase thermochemistry data, 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. | 791. | Heinzen, Soares, et al., 1999 | |
Capillary | OV-101 | 150. | 787.5 | Cha and Lee, 1994 | Column length: 20. m; Column diameter: 0.5 mm |
Capillary | OV-101 | 180. | 792.5 | Cha and Lee, 1994 | Column length: 20. m; Column diameter: 0.5 mm |
Capillary | Squalane | 25. | 775. | Hilal, Carreira, et al., 1994 | |
Capillary | BP-1 | 0. | 778. | Skrbic and Cvejanov, 1992 | 15. m/0.53 mm/1.0 μm, N2 |
Capillary | OV-101 | 40. | 783. | Laub and Purnell, 1988 | |
Capillary | OV-101 | 60. | 784. | Laub and Purnell, 1988 | |
Capillary | OV-101 | 80. | 785. | Laub and Purnell, 1988 | |
Capillary | Squalane | 50. | 776. | Lunskii and Paizanskaya, 1988 | He; Column length: 50. m; Column diameter: 0.22 mm |
Capillary | Squalane | 70. | 777.1 | Lunskii and Paizanskaya, 1988 | He; Column length: 50. m; Column diameter: 0.22 mm |
Capillary | OV-101 | 30. | 782. | Chien, Furio, et al., 1983 | |
Capillary | OV-101 | 40. | 783. | Chien, Furio, et al., 1983 | |
Capillary | OV-101 | 50. | 784. | Chien, Furio, et al., 1983 | |
Capillary | OV-101 | 60. | 784. | Chien, Furio, et al., 1983 | |
Capillary | OV-101 | 70. | 784. | Chien, Furio, et al., 1983 | |
Capillary | OV-101 | 80. | 785. | Chien, Furio, et al., 1983 | |
Capillary | DB-1 | 60. | 785.1 | Lubeck and Sutton, 1983 | Column length: 60. m; Column diameter: 0.264 mm |
Capillary | DB-1 | 60. | 785. | Lubeck and Sutton, 1983 | 60. m/0.259 mm/1. μm |
Capillary | OV-101 | 50. | 784. | Johansen and Ettre, 1982 | 100. m/0.27 mm/0.20 μm |
Capillary | OV-101 | 50. | 784. | Johansen and Ettre, 1982 | 55. m/0.27 mm/0.9 μm |
Capillary | OV-1 | 50. | 786. | Johansen and Ettre, 1982 | 17.5 m/0.2 mm/0.15 μm |
Capillary | SE-30 | 50. | 784. | Johansen and Ettre, 1982 | 17.5 m/0.2 mm/0.15 μm |
Capillary | SF-96 | 50. | 784. | Johansen and Ettre, 1982 | 91.4 m/0.31 mm/0.20 μm |
Capillary | OV-1 | 30. | 784.8 | Chien, Kopecni, et al., 1981 | H2 |
Capillary | OV-1 | 40. | 785.3 | Chien, Kopecni, et al., 1981 | H2 |
Capillary | OV-1 | 50. | 785.5 | Chien, Kopecni, et al., 1981 | H2 |
Capillary | OV-1 | 60. | 786.1 | Chien, Kopecni, et al., 1981 | H2 |
Capillary | OV-1 | 70. | 786.7 | Chien, Kopecni, et al., 1981 | H2 |
Capillary | OV-1 | 80. | 787.2 | Chien, Kopecni, et al., 1981 | H2 |
Capillary | SE-30 | 30. | 784.7 | Chien, Kopecni, et al., 1981 | H2 |
Capillary | SE-30 | 40. | 784.4 | Chien, Kopecni, et al., 1981 | H2 |
Capillary | SE-30 | 50. | 784.3 | Chien, Kopecni, et al., 1981 | H2 |
Capillary | SE-30 | 60. | 784.1 | Chien, Kopecni, et al., 1981 | H2 |
Capillary | SE-30 | 70. | 783.9 | Chien, Kopecni, et al., 1981 | H2 |
Capillary | SE-30 | 80. | 783.6 | Chien, Kopecni, et al., 1981 | H2 |
Capillary | Squalane | 70. | 777.4 | Nabivach and Kirilenko, 1979 | N2; Column length: 50. m |
Capillary | Squalane | 60. | 777. | Chretien and Dubois, 1976 | |
Capillary | Squalane | 60. | 777.3 | Chretien and Dubois, 1976 | |
Capillary | Vacuum Grease Oil (VM-4) | 95. | 774.9 | Sultanov and Arustamova, 1975 | N2; Column length: 150. m; Column diameter: 0.25 mm |
Capillary | Squalane | 50. | 776. | Rijks and Cramers, 1974 | N2; Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 70. | 778. | Rijks and Cramers, 1974 | N2; Column length: 100. m; Column diameter: 0.25 mm |
Capillary | OV-101 | 50. | 784. | Pacáková, Hoch, et al., 1973 | 25. m/0.25 mm/1.39 μm, N2 |
Capillary | OV-101 | 60. | 785. | Pacáková, Hoch, et al., 1973 | 25. m/0.25 mm/1.39 μm, N2 |
Capillary | Squalane | 70. | 776.7 | Dimov and Schopov, 1971 | Column length: 100. m; Column diameter: 0.25 mm |
Packed | SE-30 | 75. | 786. | Robinson and Odell, 1971 | N2, Chromosorb W; Column length: 6.1 m |
Packed | Squalane | 100. | 779. | Robinson and Odell, 1971 | N2, Embacel; Column length: 3.0 m |
Packed | SE-30 | 80. | 783. | Mitra and Saha, 1970 | N2 |
Packed | Squalane | 80. | 778. | Mitra and Saha, 1970 | N2 |
Capillary | Squalane | 60. | 777. | Matukuma, 1969 | N2; Column length: 91.4 m; Column diameter: 0.25 mm |
Packed | Squalane | 30. | 775. | Tourres, 1967 | H2; Column length: 10. m |
Packed | Squalane | 50. | 776.5 | Tourres, 1967 | H2; Column length: 10. m |
Capillary | Squalane | 30. | 775. | Tourres, 1967, 2 | H2; Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 50. | 777. | Tourres, 1967, 2 | H2; Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 70. | 778. | Tourres, 1967, 2 | H2; Column length: 100. m; Column diameter: 0.25 mm |
Packed | Squalane | 100. | 779. | Evans, 1966 | Untreated celite; Column length: 1.8 m |
Packed | Squalane | 22. | 775. | Evans, 1966 | Untreated celite; Column length: 1.8 m |
Packed | Squalane | 60. | 777. | Evans, 1966 | Untreated celite; Column length: 1.8 m |
Packed | Squalane | 80. | 778. | Evans, 1966 | Untreated celite; Column length: 1.8 m |
Kovats' RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | OV-101 | 781. | 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 | 766. | 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 | 782.9 | 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 | 786. | 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 |
Capillary | Squalane | 777. | Korol and Lysyuk, 1980 | Program: not specified |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5 | 789. | Insausti, Goñi, et al., 2005 | 50. m/0.32 mm/1.05 μm, He, 35. C @ 15. min, 8. K/min, 220. C @ 5. min |
Capillary | Petrocol DH | 787.1 | 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 | DB-1 | 780.1 | Sun and Stremple, 2003 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 40. C; Tend: 325. C |
Capillary | OV-101 | 785.5 | 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 | 782.21 | 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 | 783.56 | 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 | 784. | Olson, Sinkevitch, et al., 1992 | 4. K/min; Tstart: -40. C; Tend: 230. C |
Capillary | Petrocol DH | 783. | White, Hackett, et al., 1992 | 100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C |
Capillary | HP-1 | 786.6 | Bangjie, Xijian, et al., 1987 | N2, 10. K/min; Column length: 25. m; Column diameter: 0.2 mm; Tstart: 30. C |
Capillary | HP-1 | 783.3 | Bangjie, Xijian, et al., 1987 | N2, 2. K/min; Column length: 25. m; Column diameter: 0.2 mm; Tstart: 30. C |
Capillary | HP-1 | 784.8 | Bangjie, Xijian, et al., 1987 | N2, 30. C @ 5. min, 5. K/min; Column length: 25. m; Column diameter: 0.2 mm |
Capillary | OV-101 | 782. | 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 | Methyl Silicone | 797.06 | Hassoun, Pilling, et al., 1999 | 50. m/0.25 mm/1. μm, He; Program: -50C(2min) => 49.9C/min => 35C(10min) => 3C/min => 200C(2min) => 40C/min => 240C(30min) |
Capillary | OV-101 | 786. | Wu and Lu, 1984 | Program: not specified |
Normal alkane RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | Methyl Silicone | 50. | 776. | N/A | N2; Column length: 74.6 m; Column diameter: 0.28 mm |
Capillary | OV-101 | 50. | 784. | Wu and Lu, 1984, 2 | |
Capillary | OV-101 | 70. | 785. | Wu and Lu, 1984, 2 | |
Capillary | Squalane | 86. | 773. | Vigdergauz and Martynov, 1971 | He; Column length: 150. m; Column diameter: 0.35 mm |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Polydimethyl siloxane: CP-Sil 5 CB | 785. | 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 | 783. | Supelco, 2012 | 100. m/0.25 mm/0.50 μm, Helium, 20. C @ 15. min, 15. K/min, 220. C @ 30. min |
Capillary | OV-101 | 784. | Orav, Kailas, et al., 1999 | 50. m/0.20 mm/0.50 μm, Helium, 30. C @ 6. min, 1. K/min; Tend: 100. C |
Capillary | SF-96 | 785. | Donetzhuber, Johansson, et al., 1976 | Nitrogen, 3. K/min, 130. C @ 40. min; Column length: 111. m; Column diameter: 0.76 mm; Initial hold: 8. min |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Methyl Silicone | 776. | Feng and Mu, 2007 | Program: not specified |
Capillary | OV-101 | 777. | Du and Liang, 2003 | Program: not specified |
Capillary | Polydimethyl siloxane | 791. | Junkes, Castanho, et al., 2003 | Program: not specified |
Capillary | Polydimethyl siloxanes | 786. | Yin, Guo, et al., 2001 | Program: not specified |
Capillary | Methyl Silicone | 782. | Spieksma, 1999 | Program: not specified |
Capillary | Squalane | 773. | Petrov, 1984 | Program: not specified |
Capillary | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 781. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Capillary | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 786. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Packed | SE-30 | 795. | Robinson and Odell, 1971 | N2, Chromosorb W; Column length: 6.1 m; Program: 50C910min) => 20C/min => 90(6min) => 10C/min => 150C(hold) |
References
Go To: Top, Gas phase thermochemistry data, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Good, 1969
Good, W.D.,
Enthalpies of combustion and formation of 11 isomeric nonanes,
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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,
J. Chromatogr. A, 1999, 849, 2, 495-506, https://doi.org/10.1016/S0021-9673(99)00530-0
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Cha and Lee, 1994
Cha, K.-W.; Lee, D.-J.,
Prediction of retention indices of various compounds in gas-liquid chromatography,
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Hilal, Carreira, et al., 1994
Hilal, S.H.; Carreira, L.A.; Karickhoff, S.W.; Melton, C.M.,
Estimation of Gas-Liquid Chromatographic Retention Times from Molecular Structure,
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Skrbic and Cvejanov, 1992
Skrbic, B.D.; Cvejanov, J.Dj.,
Unified retention indices of hydrocarbons on BP-1 dimethylsiloxane stationary phase,
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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 and Paizanskaya, 1988
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,
Zh. Anal. Khim., 1988, 43, 127-135. [all data]
Chien, Furio, et al., 1983
Chien, C.-F.; Furio, D.L.; Kopecni, M.M.; Laub, R.J.,
Specific Retention Volumes and Retention Indices of Selected Hydrocarbon Solutes with OV-101 and SP-2100 Polydimethylsiloxane Solvents,
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Lubeck and Sutton, 1983
Lubeck, A.J.; Sutton, DL.,
Kovats retention indices of selected hydrocarbons through C10 on bonded phase fused silica capillaries,
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Johansen and Ettre, 1982
Johansen, N.G.; Ettre, L.S.,
Retention index values of hydrocarbons on open-tubular columns coated with methylsilicone liquid phases,
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Chien, Kopecni, et al., 1981
Chien, C.-F.; Kopecni, M.M.; Laub, R.J.,
Specific Retention Volumes and Retention Indices of Selected Hydrocarbon Solutes with OV-1 and SE-30 Polydimethylsiloxane Solvents,
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Nabivach and Kirilenko, 1979
Nabivach, V.M.; Kirilenko, A.V.,
The use of retention indices for identifying the components of crude benzene,
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Chretien and Dubois, 1976
Chretien, J.R.; Dubois, J.-E.,
New Perspectives in the Prediction of Kovats Indices,
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Sultanov and Arustamova, 1975
Sultanov, N.T.; Arustamova, L.G.,
Determination of the boiling points of C10 isoalkanes in an n-decane isomerizate from gas chromatographic retention indices,
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Rijks and Cramers, 1974
Rijks, J.A.; Cramers, C.A.,
High precision capillary gas chromatography of hydrocarbons,
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Pacáková, Hoch, et al., 1973
Pacáková, V.; Hoch, K.; Smolková, E.,
The Effect of Instrumentation on the Precision of Retention Indexes,
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Dimov and Schopov, 1971
Dimov, N.; Schopov, D.,
Empirische korrektion der physikalisch-chemischen retentionsindexe von kohlenwasserstoffen auf squalan,
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Robinson and Odell, 1971
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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Mitra and Saha, 1970
Mitra, G.D.; Saha, N.C.,
Determination of Retention Indices of Saturated Hydrocarbons by Graphical Methods,
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Matukuma, 1969
Matukuma, A.,
Retention indices of alkanes through C10 and alkenes through C8 and relation between boiling points and retention data,
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Tourres, 1967
Tourres, D.A.,
Structural analysis of industrial butene dimers by gas chromatography,
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Tourres, 1967, 2
Tourres, D.A.,
Structure moléculaire et rétention en chromatographie en phase gazeuse. Influence de la température sur l'indice de rétention d'alcanes isomères,
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Evans, 1966
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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, 1971
Louis, R.,
Kovats-index-tafeln zur gaschromatographischen analyse von kohlenwasserstoffgemischen,
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Haagen-Smit Laboratory,
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Hoekman, 1993
Hoekman, S.K.,
Improved gas chromatography procedure for speciated hydrocarbon measurements of vehicle emissions,
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Korol and Lysyuk, 1980
Korol, A.N.; Lysyuk, L.S.,
A New Thermodynamic Method for Calculating the Retention Indices of Isoalkanes on Squalane,
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Insausti, K.; Goñi, V.; Petri, E.; Gorraiz, C.; Beriain, M.J.,
Effect of weight at slaughter on the volatile compounds of cooked beef from Spanish cattle breeds,
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Speciation of the volatile organic compounds (VOCs) in solventborne aerosol coatings by solid phase microextraction-gas chromatography,
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Sun and Stremple, 2003
Sun, G.; Stremple, P.,
Retention index characterization of flavor, fragrance, and many other compounds on DB-1 and DB-XLB, 2003, retrieved from http://www.chem.agilent.com/cag/cabu/pdf/b-0279.pdf. [all data]
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Speciation and Quantitation of Hydrocarbons in Gasoline Engine Exhaust,
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White, C.M.; Hackett, J.; Anderson, R.R.; Kail, S.; Spock, P.S.,
Linear temperature programmed retention indices of gasoline range hydrocarbons and chlorinated hydrocarbons on cross-linked polydimethylsiloxane,
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Calculation of retention indices in temperature-programmed gas chromatography,
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Notes
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