Cyclohexane, (1-methylethyl)-
- Formula: C9H18
- Molecular weight: 126.2392
- IUPAC Standard InChI: InChI=1S/C9H18/c1-8(2)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3
- IUPAC Standard InChIKey: GWESVXSMPKAFAS-UHFFFAOYSA-N
- CAS Registry Number: 696-29-7
- 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: Cyclohexane, isopropyl-; Isopropylcyclohexane; Hexahydrocumene; Normanthane
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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 | OV-101 | 100. | 926. | Engewald, Topalova, et al., 1987 | Column length: 50. m; Column diameter: 0.30 mm |
| Capillary | SE-30 | 130. | 929. | Bredael, 1982 | Column length: 100. m; Column diameter: 0.5 mm |
| Capillary | SE-30 | 80. | 915. | Bredael, 1982 | Column length: 100. m; Column diameter: 0.5 mm |
| Capillary | SE-30 | 80. | 921.2 | Albaigés and Guardino, 1980 | He; Column length: 64. m; Column diameter: 0.25 mm |
| Capillary | Squalane | 80. | 926.1 | Albaigés and Guardino, 1980 | He; Column length: 100. m; Column diameter: 0.25 mm |
| Packed | Squalane | 100. | 931. | Nabivach and Kirilenko, 1980 | He, Chromaton N-AW-HMDS; Column length: 1. m |
| Capillary | Squalane | 100. | 933. | Rang, Orav, et al., 1977 | Nitrogen or helium; Column length: 100. m; Column diameter: 0.25 mm |
| Packed | SE-30 | 110. | 922. | Mitra, Mohan, et al., 1974 | N2, Chrom W; Column length: 6.1 m |
| Packed | SE-30 | 120. | 927. | Mitra, Mohan, et al., 1974 | N2, Chrom W; Column length: 6.1 m |
| Packed | SE-30 | 130. | 930. | Mitra, Mohan, et al., 1974 | N2, Chrom W; Column length: 6.1 m |
| Packed | SE-30 | 140. | 932. | Mitra, Mohan, et al., 1974 | N2, Chrom W; Column length: 6.1 m |
| Capillary | Squalane | 100. | 936. | Mitra, Mohan, et al., 1974, 2 | H2; Column length: 50. m; Column diameter: 0.2 mm |
| Capillary | Vacuum Grease Oil (VM-4) | 35. | 915. | Sidorov, Petrova, et al., 1972 | |
| Capillary | Vacuum Grease Oil (VM-4) | 45. | 919. | Sidorov, Petrova, et al., 1972 | |
| Capillary | Vacuum Grease Oil (VM-4) | 50. | 921. | Sidorov, Petrova, et al., 1972 | |
| Capillary | Vacuum Grease Oil (VM-4) | 58. | 925. | Sidorov, Petrova, et al., 1972 | |
| Capillary | Vacuum Grease Oil (VM-4) | 68. | 929. | Sidorov, Petrova, et al., 1972 | |
| Packed | Vacuum Grease Oil (VM-4) | 35. | 915. | Sidorov, Ivanova, et al., 1971 | |
| Packed | SE-30 | 130. | 934. | Mitra and Saha, 1970 | N2 |
| Capillary | Squalane | 70. | 923. | Schomburg, 1966 | |
| Packed | Methyl Silicone | 130. | 934. | Antheaume and Guiochon, 1965 |
Kovats' RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | OV-101 | 913. | 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 | 934. | 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 | 917.3 | 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) |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Petrocol DH | 920.0 | 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 | 916.9 | 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 | 915. | White, Hackett, et al., 1992 | 100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C |
| Capillary | OV-101 | 913. | Hayes and Pitzer, 1981 | 108. m/0.25 mm/0.2 μm, 1. K/min; Tstart: 35. C; Tend: 200. C |
Normal alkane RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | OV-101 | 70. | 917. | Wu and Lu, 1984 |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Petrocol DH | 920. | Supelco, 2012 | 100. m/0.25 mm/0.50 μm, Helium, 20. C @ 15. min, 15. K/min, 220. C @ 30. min |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Squalane | 915. | Chen, 2008 | Program: not specified |
| Capillary | SE-52 | 908. | van Langenhove and Schamp, 1986 | Column length: 100. m; Column diameter: 0.50 mm; Program: not specified |
| Capillary | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 913. | 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. | 915. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; 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.
Engewald, Topalova, et al., 1987
Engewald, W.; Topalova, I.; Petsev, N.; Dimitrov, Chr.,
Structure-Retention Correlations of Hydrocarbons in GLC and GSC. Alkenylbenzenes,
Chromatographia, 1987, 23, 8, 561-565, https://doi.org/10.1007/BF02324864
. [all data]
Bredael, 1982
Bredael, P.,
Retention indices of hydrocarbons on SE-30,
J. Hi. Res. Chromatogr. Chromatogr. Comm., 1982, 5, 6, 325-328, https://doi.org/10.1002/jhrc.1240050610
. [all data]
Albaigés and Guardino, 1980
Albaigés, J.; Guardino, X.,
Gas chromatographic-mass spectrometric identification of alkylcyclohexanes and cyclohexenes,
Chromatographia, 1980, 13, 12, 755-762, https://doi.org/10.1007/BF02265555
. [all data]
Nabivach and Kirilenko, 1980
Nabivach, V.M.; Kirilenko, A.V.,
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,
Chromatographia, 1980, 13, 2, 93-100, https://doi.org/10.1007/BF02263060
. [all data]
Rang, Orav, et al., 1977
Rang, S.; Orav, A.; Kuningas, K.; Eisen, O.,
Capillary Gas Chromatography of Monosubstituted Cyclopentenes and Cyclohexenes,
Chromatographia, 1977, 10, 3, 115-122, https://doi.org/10.1007/BF02297862
. [all data]
Mitra, Mohan, et al., 1974
Mitra, G.D.; Mohan, G.; Sinha, A.,
Advances in the utilization of the retention index system for characterizing hydrocarbons in complex mixtures by gas chromatography,
J. Chromatogr., 1974, 99, 215-230, https://doi.org/10.1016/S0021-9673(00)90857-4
. [all data]
Mitra, Mohan, et al., 1974, 2
Mitra, G.D.; Mohan, G.; Sinha, A.,
Gas chromatographic analysis of complex hydrocarbon mixtures,
J. Chromatogr. A, 1974, 91, 633-648, https://doi.org/10.1016/S0021-9673(01)97944-0
. [all data]
Sidorov, Petrova, et al., 1972
Sidorov, R.I.; Petrova, V.I.; Ivanova, M.P.,
Qualitative analysis of wide-boiling fraction C5-C10 with capillary chromatography
in Processes in chromatographic columns. Vol.17, 1972, 14-25. [all data]
Sidorov, Ivanova, et al., 1971
Sidorov, R.I.; Ivanova, M.P.; Petrova, V.I.,
Temperature dependence of cycloalkane's retention and its using in identification of structure,
Gazovaya Khromatografiya, 1971, 15, 18-26. [all data]
Mitra and Saha, 1970
Mitra, G.D.; Saha, N.C.,
Determination of Retention Indices of Saturated Hydrocarbons by Graphical Methods,
J. Chromatogr. Sci., 1970, 8, 2, 95-102, https://doi.org/10.1093/chromsci/8.2.95
. [all data]
Schomburg, 1966
Schomburg, G.,
Gaschromatographische Retentionsdaten und struktur chemischer verbindungen. III. Alkylverzweigte und ungesättigte cyclische Kohlenwasserstoffe,
J. Chromatogr., 1966, 23, 18-41, https://doi.org/10.1016/S0021-9673(01)98653-4
. [all data]
Antheaume and Guiochon, 1965
Antheaume, J.; Guiochon, G.,
Application de la chromatographie en phase gazeuse à l'étude de la composition des fractions moyennes d'un brut pétrolier,
Bull. Soc. Chim. Fr., 1965, 2, 298-307. [all data]
Hayes and Pitzer, 1982
Hayes, P.C., Jr.; Pitzer, E.W.,
Characterizing petroleum- and shale-derived jet fuel distillates via temperature-programmed Kováts indices,
J. Chromatogr., 1982, 253, 179-198, https://doi.org/10.1016/S0021-9673(01)88376-X
. [all data]
Louis, 1971
Louis, R.,
Kovats-index-tafeln zur gaschromatographischen analyse von kohlenwasserstoffgemischen,
Erdoel Kohle Erdgas Petrochem., 1971, 24, 2, 88-94. [all data]
Haagen-Smit Laboratory, 1997
Haagen-Smit Laboratory,
Procedure for the detailed hydrocarbon analysis of gasolines by single column high efficiency (capillary) column gas chromatography, SOP NO. MLD 118, Revision No. 1.1, California Environmental Protection Agency, Air Resources Board, El Monte, California, 1997, 22. [all data]
Censullo, Jones, et al., 2003
Censullo, A.C.; Jones, D.R.; Wills, M.T.,
Speciation of the volatile organic compounds (VOCs) in solventborne aerosol coatings by solid phase microextraction-gas chromatography,
J. Coat. Technol., 2003, 75, 936, 47-53, https://doi.org/10.1007/BF02697922
. [all data]
Yin, Liu, et al., 2001
Yin, C.; Liu, W.; Li, Z.; Pan, Z.; Lin, T.; Zhang, M.,
Chemometrics to chemical modeling: structural coding in hydrocarbons and retention indices of gas chromatography,
J. Sep. Sci., 2001, 24, 3, 213-220, https://doi.org/10.1002/1615-9314(20010301)24:3<213::AID-JSSC213>3.0.CO;2-4
. [all data]
White, Hackett, et al., 1992
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,
J. Hi. Res. Chromatogr., 1992, 15, 2, 105-120, https://doi.org/10.1002/jhrc.1240150211
. [all data]
Hayes and Pitzer, 1981
Hayes, P.C., Jr.; Pitzer, E.W.,
Kovats indices as a tool in characterizing hydrocarbon fuels in temperature programmed glass capillary gas chromatography. Part 1. Qualitative identification, Inhouse rpt. for Air Force Wright Aeronautical Labs., Air Force Wright Aeronautical Labs., Wright-Patterson AFB, Ohio, 1981, 75. [all data]
Wu and Lu, 1984
Wu, J.; Lu, W.,
Kovats indices of C4-C10 hydrocarbons in apolar quartz capillary OV-101,
Chin. J. Chromatogr., 1984, 1, 1, 11-17. [all data]
Supelco, 2012
Supelco, CatalogNo. 24160-U,
Petrocol DH Columns. Catalog No. 24160-U, 2012, retrieved from http://www.sigmaaldrich.com/etc/medialib/docs/Supelco/Datasheet/1/w97949.Par.0001.File.tmp/w97949.pdf. [all data]
Chen, 2008
Chen, H.-F.,
Quantitative prediction of gas chromatography retention indices with support vector machines, radial basis neutral networks and multiple linear regression,
Anal. Chim. Acta, 2008, 609, 1, 24-36, https://doi.org/10.1016/j.aca.2008.01.003
. [all data]
van Langenhove and Schamp, 1986
van Langenhove, H.; Schamp, N.,
Identification of Volatiles in the Head Space of Acid-Treated Phosphate Rock by Gas Chromatography-Mass Spectromety,
J. Chromatogr., 1986, 351, 65-75, https://doi.org/10.1016/S0021-9673(01)83473-7
. [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]
Notes
Go To: Top, Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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