Cyclopentane, 1,1-dimethyl-

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Gas phase ion energetics data

Go To: Top, Mass spectrum (electron ionization), 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: Sharon G. Lias and Joel F. Liebman

Ionization energy determinations

IE (eV) Method Reference
9.46 ± 0.05EIHolmes and Lossing, 1991

Mass spectrum (electron ionization)

Go To: Top, Gas phase ion energetics data, 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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NIST MS number 935

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Gas Chromatography

Go To: Top, Gas phase ion energetics data, 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

View large format table.

Column type Active phase Temperature (C) I Reference Comment
CapillaryOV-1010.665.Skrbic, 1997 
CapillaryCP Sil 260.675.5Estel, Mohnke, et al., 1995100. m/0.25 mm/0.25 μm
CapillarySqualane25.669.Hilal, Carreira, et al., 1994 
CapillaryDB-160.675.9Krupcik, Skacani, et al., 1994H2; Phase thickness: 0.25 μm
CapillaryPONA60.676.0Krupcik, Skacani, et al., 1994H2; Phase thickness: 0.5 μm
CapillaryPONA60.676.8Krupcik, Skacani, et al., 1994H2; Phase thickness: 0.5 μm
CapillaryDB-160.676.1Krupcik, Skacani, et al., 1994H2; Phase thickness: 1. μm
CapillaryOV-10160.675.8Krupcik, Skacani, et al., 1994H2; Phase thickness: 0.2 μm
CapillaryOV-145.673.3Guan, Kiraly, et al., 198925. m/0.31 mm/0.52 μm, He
CapillaryOV-165.677.4Guan, Kiraly, et al., 198925. m/0.31 mm/0.52 μm, He
CapillaryOV-10140.671.Laub and Purnell, 1988 
CapillaryOV-10160.675.Laub and Purnell, 1988 
CapillaryOV-10180.679.Laub and Purnell, 1988 
CapillarySqualane50.672.4Lunskii and Paizanskaya, 1988He; Column length: 50. m; Column diameter: 0.22 mm
CapillarySqualane70.676.5Lunskii and Paizanskaya, 1988He; Column length: 50. m; Column diameter: 0.22 mm
CapillaryNonpolar55.675.Stoyanov and Dimov, 1987 
CapillaryNonpolar60.676.Stoyanov and Dimov, 1987 
CapillaryNonpolar65.677.Stoyanov and Dimov, 1987 
CapillaryOV-10140.671.7Boneva and Dimov, 1986100. m/0.27 mm/0.9 μm
CapillaryOV-10150.673.6Boneva and Dimov, 1986100. m/0.27 mm/0.9 μm
CapillaryOV-10160.675.4Boneva and Dimov, 1986100. m/0.27 mm/0.9 μm
CapillaryOV-10170.676.9Boneva and Dimov, 1986100. m/0.27 mm/0.9 μm
CapillaryOV-10130.669.Chien, Furio, et al., 1983 
CapillaryOV-10140.671.Chien, Furio, et al., 1983 
CapillaryOV-10150.673.Chien, Furio, et al., 1983 
CapillaryOV-10160.675.Chien, Furio, et al., 1983 
CapillaryOV-10170.677.Chien, Furio, et al., 1983 
CapillaryOV-10180.679.Chien, Furio, et al., 1983 
CapillaryDB-160.675.9Lubeck and Sutton, 1983Column length: 60. m; Column diameter: 0.264 mm
CapillaryDB-160.676.1Lubeck and Sutton, 198360. m/0.259 mm/1. μm
CapillaryOV-10150.674.Johansen and Ettre, 1982100. m/0.27 mm/0.20 μm
CapillaryOV-10150.674.Johansen and Ettre, 198255. m/0.27 mm/0.9 μm
CapillarySF-9650.674.Johansen and Ettre, 198291.4 m/0.31 mm/0.20 μm
CapillarySqualane100.673.2Lulova, Leont'eva, et al., 1976He; Column length: 120. m; Column diameter: 0.25 mm
CapillarySqualane100.673.2Lulova, Leont'eva, et al., 1976He; Column length: 120. m; Column diameter: 0.25 mm
CapillarySqualane100.684.Dielmann, Schwengers, et al., 1974Column length: 100. m; Column diameter: 0.25 mm
CapillarySqualane60.675.Dielmann, Schwengers, et al., 1974Column length: 100. m; Column diameter: 0.25 mm
CapillarySqualane80.679.Dielmann, Schwengers, et al., 1974Column length: 100. m; Column diameter: 0.25 mm
CapillarySqualane50.674.Rijks and Cramers, 1974N2; Column length: 100. m; Column diameter: 0.25 mm
CapillarySqualane70.677.Rijks and Cramers, 1974N2; Column length: 100. m; Column diameter: 0.25 mm
CapillaryVacuum Grease Oil (VM-4)35.672.Sidorov, Petrova, et al., 1972 
CapillaryVacuum Grease Oil (VM-4)45.674.Sidorov, Petrova, et al., 1972 
CapillaryVacuum Grease Oil (VM-4)50.675.Sidorov, Petrova, et al., 1972 
CapillaryVacuum Grease Oil (VM-4)58.677.Sidorov, Petrova, et al., 1972 
CapillaryVacuum Grease Oil (VM-4)68.680.Sidorov, Petrova, et al., 1972 
CapillarySqualane70.674.Dimov and Schopov, 1971Column length: 100. m; Column diameter: 0.25 mm
PackedVacuum Grease Oil (VM-4)35.672.Sidorov, Ivanova, et al., 1971 
PackedSE-30130.683.Mitra and Saha, 1970N2, Chromosorb W; Column length: 6.1 m
PackedSqualane27.669.Hively and Hinton, 1968He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
PackedSqualane49.674.Hively and Hinton, 1968He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
PackedSqualane67.677.Hively and Hinton, 1968He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
PackedSqualane86.681.Hively and Hinton, 1968He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
CapillarySqualane70.677.Schomburg, 1966 

Kovats' RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryApiezon L679.Louis, 1971N2, 1. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 60. C

Kovats' RI, non-polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryPetrocol DH-100671.1Haagen-Smit Laboratory, 1997He; 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

View large format table.

Column type Active phase I Reference Comment
CapillaryPetrocol DH669.7Censullo, Jones, et al., 200350. m/0.25 mm/0.5 μm, He, 35. C @ 10. min, 3. K/min, 200. C @ 10. min
CapillarySPB-1662.30LECO Corporation, 200330. m/0.25 mm/0.25 μm, 40. C @ 2. min, 10. K/min, 250. C @ 2. min
CapillarySPB-1663.04LECO Corporation, 200330. m/0.25 mm/0.25 μm, 40. C @ 2. min, 10. K/min, 250. C @ 2. min
CapillaryOV-101668.5Yin, Liu, et al., 2001N2, 1. K/min; Column length: 80. m; Column diameter: 0.22 mm; Tstart: 30. C; Tend: 130. C
CapillaryPetrocol DH665.52Subramaniam, Bochniak, et al., 1994100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C
CapillaryPetrocol DH665.59Subramaniam, Bochniak, et al., 1994100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C
CapillaryPetrocol DH665.48White, Douglas, et al., 1992100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C
CapillaryPetrocol DH665.63White, Douglas, et al., 1992100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C
CapillaryPetrocol DH666.White, Hackett, et al., 1992100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C

Normal alkane RI, non-polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
CapillaryOV-10140.672.Li and Deng, 1998N2; Column length: 51. m; Column diameter: 0.25 mm
CapillaryOV-10150.673.Wu and Lu, 1984 
CapillaryOV-10170.677.Wu and Lu, 1984 
CapillarySqualane86.671.Vigdergauz and Martynov, 1971He; Column length: 150. m; Column diameter: 0.35 mm

Normal alkane RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryPolydimethyl siloxane: CP-Sil 5 CB672.Bramston-Cook, 201360. m/0.25 mm/1.0 μm, Helium, 45. C @ 1.45 min, 3.6 K/min, 210. C @ 2.72 min
CapillaryPetrocol DH666.Supelco, 2012100. m/0.25 mm/0.50 μm, Helium, 20. C @ 15. min, 15. K/min, 220. C @ 30. min
CapillaryPONA670.Zhang, Ding, et al., 200950. m/0.20 mm/0.50 μm, Nitrogen, 35. C @ 15. min, 2. K/min, 200. C @ 10. min
CapillaryOV-101673.Orav, Kailas, et al., 199950. m/0.20 mm/0.50 μm, Helium, 30. C @ 6. min, 1. K/min; Tend: 100. C
CapillarySE-54669.Guan, Li, et al., 199560. C @ 2. min, 4. K/min; Column length: 50. m; Column diameter: 0.32 mm; Tend: 200. C

Normal alkane RI, non-polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillarySqualane669.Chen, 2008Program: not specified
CapillarySqualane683.Chen, 2008Program: not specified
CapillaryMethyl Silicone673.Zenkevich and Marinichev, 2001Program: not specified
CapillaryOV-101665.Skrbic and Cvejanov, 1993Program: not specified
CapillaryOV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.675.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified

References

Go To: Top, Gas phase ion energetics data, 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.

Holmes and Lossing, 1991
Holmes, J.L.; Lossing, F.P., Ionization energies of homologous organic compounds and correlation with molecular size, Org. Mass Spectrom., 1991, 26, 537. [all data]

Skrbic, 1997
Skrbic, B.D., Unified retention concept -- statistical treatment of Kováts retention index, J. Chromatogr. A, 1997, 764, 2, 257-264, https://doi.org/10.1016/S0021-9673(96)00955-7 . [all data]

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, J. Hi. Res. Chromatogr., 1995, 18, 7, 403-412, https://doi.org/10.1002/jhrc.1240180703 . [all data]

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, J. Chromatogr. A, 1994, 662, 2, 269-280, https://doi.org/10.1016/0021-9673(94)80515-6 . [all data]

Krupcik, Skacani, et al., 1994
Krupcik, J.; Skacani, I.; Benicka, E.; Sandra, P., Dependence of gas chromatographic retention data of hydrocarbons on the film thickness of the polydimethylsiloxane stationary phase, Collect. Czech. Chem. Commun., 1994, 59, 11, 2390-2396, https://doi.org/10.1135/cccc19942390 . [all data]

Guan, Kiraly, et al., 1989
Guan, Y.; Kiraly, J.; Rijks, J.A., Interactive retention index database for compound identification in temperature-programmed capillary gas chromatography, J. Chromatogr., 1989, 472, 129-143, https://doi.org/10.1016/S0021-9673(00)94101-3 . [all data]

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, J. Hi. Res. Chromatogr. Chromatogr. Comm., 1988, 11, 9, 649-660, https://doi.org/10.1002/jhrc.1240110908 . [all data]

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]

Stoyanov and Dimov, 1987
Stoyanov, E.; Dimov, N., Precalculation of the optimum column temperature for gas chromatographic separation of petroleum fractions, Anal. Chim. Acta., 1987, 201, 207-216, https://doi.org/10.1016/S0003-2670(00)85338-6 . [all data]

Boneva and Dimov, 1986
Boneva, S.; Dimov, N., Unified retention index of hydrocarbons separated on dimethylsilicone OV-101, Chromatographia, 1986, 21, 12, 697-700, https://doi.org/10.1007/BF02313682 . [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, J. Hi. Res. Chromatogr. Chromatogr. Comm., 1983, 6, 10, 577-580, https://doi.org/10.1002/jhrc.1240061013 . [all data]

Lubeck and Sutton, 1983
Lubeck, A.J.; Sutton, DL., Kovats retention indices of selected hydrocarbons through C10 on bonded phase fused silica capillaries, J. Hi. Res. Chromatogr. Chromatogr. Comm., 1983, 6, 6, 328-332, https://doi.org/10.1002/jhrc.1240060612 . [all data]

Johansen and Ettre, 1982
Johansen, N.G.; Ettre, L.S., Retention index values of hydrocarbons on open-tubular columns coated with methylsilicone liquid phases, Chromatographia, 1982, 15, 10, 625-630, https://doi.org/10.1007/BF02279488 . [all data]

Lulova, Leont'eva, et al., 1976
Lulova, N.I.; Leont'eva, S.A.; Timofeeva, A.N., Gas-chromatographic method of determination of individual hydrocarbons in catalytic cracking gasolines in Proceedings of All-Union Research Institute on Oil Processes. Vol.18, All-Union Research Institute on Oil Processes, Moscow, 1976, 30-53. [all data]

Dielmann, Schwengers, et al., 1974
Dielmann, G.; Schwengers, D.; Schomburg, G., Gas-chromatographische Retentionsdaten und Strukture chemischer Verbindungen Gesättigte und ungesättigte alkylsubstituierte Cyclopentane und Methylcyclopentane, Chromatographia, 1974, 7, 5, 215-224, https://doi.org/10.1007/BF02321771 . [all data]

Rijks and Cramers, 1974
Rijks, J.A.; Cramers, C.A., High precision capillary gas chromatography of hydrocarbons, Chromatographia, 1974, 7, 3, 99-106, https://doi.org/10.1007/BF02269819 . [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]

Dimov and Schopov, 1971
Dimov, N.; Schopov, D., Empirische korrektion der physikalisch-chemischen retentionsindexe von kohlenwasserstoffen auf squalan, J. Chromatogr., 1971, 63, 223-228, https://doi.org/10.1016/S0021-9673(01)85634-X . [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]

Hively and Hinton, 1968
Hively, R.A.; Hinton, R.E., Variation of the retention index with temperature on squalane substrates, J. Gas Chromatogr., 1968, 6, 4, 203-217, https://doi.org/10.1093/chromsci/6.4.203 . [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]

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]

LECO Corporation, 2003
LECO Corporation, Determination of hydrocarbon components in petroleum naphthas, 2003, retrieved from http://www.leco.org/customersupport/apps/separationscience/-190.pdf. [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]

Subramaniam, Bochniak, et al., 1994
Subramaniam, B.; Bochniak, D.; Snavely, K., Fischer-Tropsch synthesis in supercritical reaction media, Lawrence Department of Chemical and Petroleum Engineering (DOE/PC/92532--T7), United States Department of Energy, Pittsburgh, PA, 1994, 8, retrieved from http://www.NTIS.gov. [all data]

White, Douglas, et al., 1992
White, C.M.; Douglas, L.J.; Hackett, J.P.; Anderson, R.R., Characterization of synthetic gasoline from the chloromethane-zeolite reaction, Energy Fuels, 1992, 6, 1, 76-82, https://doi.org/10.1021/ef00031a012 . [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]

Li and Deng, 1998
Li, H.; Deng, C., Qualitative analysis of light components of gasoline cracking using Kovats retention indices, J. Instrumental Analysis, 1998, 17, 1, 67-69. [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]

Vigdergauz and Martynov, 1971
Vigdergauz, M.S.; Martynov, A.A., Some applications of the gas chromatographic linear retention indices, Chromatographia, 1971, 4, 10, 463-467, https://doi.org/10.1007/BF02268816 . [all data]

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]

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]

Zhang, Ding, et al., 2009
Zhang, X.; Ding, L.; Sun, Z.; Song, L.; Sun, T., Study on quantitative structure-retention relationships for hydrocarbons in FCC gasoline, Chromatographia, 2009, 70, 3/4, 511-518, https://doi.org/10.1365/s10337-009-1174-0 . [all data]

Orav, Kailas, et al., 1999
Orav, A.; Kailas, T.; Muurisepp, M.; Kann, J., Composition of the oil from waste tires. 1. Fraction boiling at yp to 160 0C, Proc. Estonian Acad. Sci. Chem., 1999, 48, 1, 30-39. [all data]

Guan, Li, et al., 1995
Guan, Y.; Li, L.; Zhou, L., Live retention database for compound identification in capillary gas chromatography, Chin. J. Chromatogr., 1995, 13, 5, 851-857. [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]

Zenkevich and Marinichev, 2001
Zenkevich, I.G.; Marinichev, A.N., Comparison of Topological and Dynamics Molecular Characteristics for Precalculation of Chromatographic Retention Parameters of Organic Compounds (in Russian), Zh. Struct. Khim., 2001, 42, 5, 893-902. [all data]

Skrbic and Cvejanov, 1993
Skrbic, B.D.; Cvejanov, J.Dj., Correlation of unified retention indices for OV-101 and squalane, Chromatographia, 1993, 35, 1/2, 109-110, https://doi.org/10.1007/BF02278566 . [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 phase ion energetics data, Mass spectrum (electron ionization), Gas Chromatography, References