1-Pentene, 3-methyl-

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Gas phase ion energetics 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 as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

View reactions leading to C6H12+ (ion structure unspecified)

Ionization energy determinations

IE (eV) Method Reference Comment
9.44EIHolmes, Fingas, et al., 1981LLK
9.44EILossing and Traeger, 1975LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C5H9+9.44CH3EILossing and Traeger, 1975, 2LLK
C6H12+10.20CH3EILossing and Traeger, 1975LLK

Gas Chromatography

Go To: Top, Gas phase ion energetics 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

View large format table.

Column type Active phase Temperature (C) I Reference Comment
CapillaryMethyl Silicone30.557.6Soják, Addová, et al., 2002He; Column length: 150. m; Column diameter: 0.250 mm
CapillarySqualane30.549.7Soják, Addová, et al., 2002He; Column length: 93. m; Column diameter: 0.250 mm
CapillarySqualane25.549.Hilal, Carreira, et al., 1994 
CapillarySqualane50.551.8Papazova, Milina, et al., 1988Column length: 50. m; Column diameter: 0.25 mm
PackedSE-3042.558.Rudenko, Mal'tsev, et al., 1985Column length: 3. m
CapillaryDB-140.558.Lubeck and Sutton, 198460. m/0.264 mm/0.25 μm, H2
CapillaryHP-PONA40.558.Lubeck and Sutton, 198450. m/0.21 mm/0.5 μm, H2
CapillaryOV-10130.556.Chien, Furio, et al., 1983 
CapillaryOV-10140.557.Chien, Furio, et al., 1983 
CapillaryOV-10150.558.Chien, Furio, et al., 1983 
CapillaryOV-10160.558.Chien, Furio, et al., 1983 
CapillaryOV-10170.559.Chien, Furio, et al., 1983 
CapillaryOV-10180.559.Chien, Furio, et al., 1983 
CapillaryOV-330.561.1Chien, Furio, et al., 1983, 2 
CapillaryOV-340.561.5Chien, Furio, et al., 1983, 2 
CapillaryOV-350.562.0Chien, Furio, et al., 1983, 2 
CapillaryOV-360.562.4Chien, Furio, et al., 1983, 2 
CapillaryOV-370.563.0Chien, Furio, et al., 1983, 2 
CapillaryOV-380.563.5Chien, Furio, et al., 1983, 2 
CapillaryOV-150.558.Anders, Scheller, et al., 1982Column length: 55. m; Column diameter: 0.21 mm
CapillarySE-30130.557.Bredael, 1982Column length: 100. m; Column diameter: 0.5 mm
CapillarySE-3080.561.Bredael, 1982Column length: 100. m; Column diameter: 0.5 mm
CapillaryOV-130.558.2Chien, Kopecni, et al., 1981H2
CapillaryOV-140.558.8Chien, Kopecni, et al., 1981H2
CapillaryOV-150.559.3Chien, Kopecni, et al., 1981H2
CapillaryOV-160.559.9Chien, Kopecni, et al., 1981H2
CapillaryOV-170.560.6Chien, Kopecni, et al., 1981H2
CapillaryOV-180.561.2Chien, Kopecni, et al., 1981H2
CapillarySE-3030.560.8Chien, Kopecni, et al., 1981H2
CapillarySE-3040.560.5Chien, Kopecni, et al., 1981H2
CapillarySE-3050.559.7Chien, Kopecni, et al., 1981H2
CapillarySE-3060.559.2Chien, Kopecni, et al., 1981H2
CapillarySE-3070.558.4Chien, Kopecni, et al., 1981H2
CapillarySE-3080.557.8Chien, Kopecni, et al., 1981H2
CapillaryOV-140.549.Nijs and Jacobs, 1981He; Column length: 150. m; Column diameter: 0.50 mm
CapillarySqualane50.551.80Bajus, Veselý, et al., 1979Column length: 100. m; Column diameter: 0.25 mm
CapillarySqualane70.553.Bajus, Veselý, et al., 1979Column length: 100. m; Column diameter: 0.25 mm
CapillarySqualane50.551.50Bajus, Veselý, et al., 1979, 2Column length: 100. m; Column diameter: 0.25 mm
CapillarySqualane70.552.9Bajus, Veselý, et al., 1979, 2Column length: 100. m; Column diameter: 0.25 mm
PackedSqualane80.554.Chrétien and Dubois, 1977 
CapillarySqualane50.551.Chretien and Dubois, 1976 
CapillarySqualane100.556.Lulova, Leont'eva, et al., 1976He; Column length: 120. m; Column diameter: 0.25 mm
CapillarySqualane50.551.Rijks and Cramers, 1974N2; Column length: 100. m; Column diameter: 0.25 mm
CapillarySqualane70.553.Rijks and Cramers, 1974N2; Column length: 100. m; Column diameter: 0.25 mm
CapillarySqualane27.549.33Schomburg and Dielmann, 1973Column length: 100. m; Column diameter: 0.25 mm
CapillarySqualane40.554.Matukuma, 1969N2; Column length: 91.4 m; Column diameter: 0.25 mm
PackedSqualane27.550.Hively and Hinton, 1968He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
PackedSqualane49.552.Hively and Hinton, 1968He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
PackedSqualane67.554.Hively and Hinton, 1968He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
PackedSqualane86.555.Hively and Hinton, 1968He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
PackedSqualane26.555.Zulaïca and Guiochon, 1966Column length: 10. m

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

View large format table.

Column type Active phase I Reference Comment
CapillaryPetrocol DH-100562.7Haagen-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
CapillaryMethyl Silicone556.5Soják, Addová, et al., 2002He, 1. K/min; Column length: 150. m; Column diameter: 0.250 mm; Tstart: 30. C; Tend: 200. C
CapillaryUltra-1554.Olson, Sinkevitch, et al., 19924. K/min; Tstart: -40. C; Tend: 230. C
CapillaryPetrocol DH548.White, Hackett, et al., 1992100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C

Van Den Dool and Kratz RI, non-polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-5545.Zaikin and Borisov, 2002He; Column length: 30. m; Column diameter: 0.25 mm; Program: 30C => 5K/min=120C => 10C/min => 270C

Normal alkane RI, non-polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
CapillarySqualane40.550.3Sojak, Addova, et al., 2000He; Column length: 93. m; Column diameter: 0.25 mm
CapillaryMethyl Silicone40.591.Meng and Liu, 1991115. m/0.20 mm/0.30 μm
CapillarySqualane70.551.Schomburg, 1966 

Normal alkane RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryPolydimethyl siloxane: CP-Sil 5 CB556.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 DH560.Supelco, 2012100. m/0.25 mm/0.50 μm, Helium, 20. C @ 15. min, 15. K/min, 220. C @ 30. min
CapillaryPONA548.Zhang, Ding, et al., 200950. m/0.20 mm/0.50 μm, Nitrogen, 35. C @ 15. min, 2. K/min, 200. C @ 10. min
CapillaryPONA584.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-101559.Orav, Kailas, et al., 199950. m/0.20 mm/0.50 μm, Helium, 30. C @ 6. min, 1. K/min; Tend: 100. C
CapillarySE-54543.Guan, Li, et al., 199560. C @ 2. min, 4. K/min; Column length: 50. m; Column diameter: 0.32 mm; Tend: 200. C
CapillaryDB-1555.Ramnas, Ostermark, et al., 199450. m/0.32 mm/1.0 μm, He, 2. K/min; Tstart: -20. C

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

View large format table.

Column type Active phase I Reference Comment
CapillaryMethyl Silicone555.Chen and Feng, 2007Program: not specified
CapillaryPolydimethyl siloxane554.Junkes, Castanho, et al., 2003Program: not specified
CapillaryPONA563.Perkin Elmer Instruments, 2002Column length: 100. m; Phase thickness: 0.50 μm; Program: not specified
CapillaryMethyl Silicone557.Zenkevich and Marinichev, 2001Program: not specified
CapillaryMethyl Silicone560.Spieksma, 1999Program: not specified
CapillaryDB-1546.Ciccioli, Cecinato, et al., 199460. m/0.32 mm/0.25 μm; Program: not specified
CapillaryMethyl Silicone592.Meng and Liu, 1991115. m/0.20 mm/0.30 μm; Program: not specified
CapillaryMethyl Silicone592.Meng and Liu, 1991115. m/0.20 mm/0.30 μm; Program: not specified
PackedSE-30563.Robinson and Odell, 1971N2, Chromosorb W; Column length: 6.1 m; Program: 50C910min) => 20C/min => 90(6min) => 10C/min => 150C(hold)
PackedSqualane551.Robinson and Odell, 1971N2, Embacel; Column length: 3.0 m; Program: 25C(5min) => 2C/min => 35 => 4C/min => 95C(hold)

References

Go To: Top, Gas phase ion energetics data, Gas Chromatography, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Holmes, Fingas, et al., 1981
Holmes, J.L.; Fingas, M.; Lossing, F.P., Towards a general scheme for estimating the heats of formation of organic ions in the gas phase. Part I. Odd-electron cations, Can. J. Chem., 1981, 59, 80. [all data]

Lossing and Traeger, 1975
Lossing, F.P.; Traeger, J.C., Stabilization in cyclopentadienyl, cyclopentenyl, and cyclopentyl cations, J. Am. Chem. Soc., 1975, 97, 1579. [all data]

Lossing and Traeger, 1975, 2
Lossing, F.P.; Traeger, J.C., Free radicals by mass spectrometry XLVI. Heats of formation of C5H7 and C5H9 radicals and cations., J. Am. Chem. Soc., 1975, 19, 9. [all data]

Soják, Addová, et al., 2002
Soják, L.; Addová, G.; Kubinec, R.; Kraus, A.; Hu, G., Gas chromatographic-mass spectrometric characterization of all acyclic C5-C7 alkenes from fluid catalytic cracked gasoline using polydimethylsiloxane and squalane stationary phases, J. Chromatogr. A, 2002, 947, 1, 103-117, https://doi.org/10.1016/S0021-9673(01)01564-3 . [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]

Papazova, Milina, et al., 1988
Papazova, D.; Milina, R.; Dimov, N., Comparative evaluation of retention of hydrocarbons present in the C5-petroleum fraction of methylsilicone and squalane phases, Chromatographia, 1988, 25, 3, 177-180, https://doi.org/10.1007/BF02316441 . [all data]

Rudenko, Mal'tsev, et al., 1985
Rudenko, G.I.; Mal'tsev, V.V.; Studenichnik, V.N.; Ustinov, E.P., Gas chromatographic analysis of volatile substances evolved into atmosphere from polymer materials, Zh. Anal. Khim., 1985, 40, 6, 1119-1127. [all data]

Lubeck and Sutton, 1984
Lubeck, A.J.; Sutton, D.L., Kovats Retention Indices of Selected Olefins on Bonded Phase Fused Silica Capillaries, J. Hi. Res. Chromatogr. Chromatogr. Comm., 1984, 7, 9, 542-544, https://doi.org/10.1002/jhrc.1240070913 . [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]

Chien, Furio, et al., 1983, 2
Chien, C.-F.; Furio, D.L.; Kopecni, M.M.; Laub, R.J., Specific retention volumes and retention indices of selected hydrocarbon solutes with OV-3, OV-7, OV-11, OV-17, OV-22, and OV-25 polymethylphenylsiloxane solvents, J. Hi. Res. Chromatogr., 1983, 6, 12, 669-679, https://doi.org/10.1002/jhrc.1240061207 . [all data]

Anders, Scheller, et al., 1982
Anders, G.; Scheller, M.; Schuhler, C.; Struppe, H.G., Zur Vorausberechnung von Bruttoretentioszeiten bei temperaturprogramierter Gaschromatographie mit Hilfe isotherm bestimmter Retentionsindices und einer Anpassung an experimentelle Retentionszeiten, Chromatographia, 1982, 15, 1, 43-47, https://doi.org/10.1007/BF02269039 . [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]

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, J. Hi. Res. Chromatogr. Chromatogr. Comm., 1981, 4, 10, 539-543, https://doi.org/10.1002/jhrc.1240041017 . [all data]

Nijs and Jacobs, 1981
Nijs, H.H.; Jacobs, P.A., On-Line Single Run Analysis of Effluents from a Fischer-Tropsch Reactor, J. Chromatogr. Sci., 1981, 19, 1, 40-45, https://doi.org/10.1093/chromsci/19.1.40 . [all data]

Bajus, Veselý, et al., 1979
Bajus, M.; Veselý, V.; Leclercq, P.A.; Rijks, J.A., Steam cracking of hydrocarbons. 2. Pyrolysis of methylcyclohexane, Ind. Eng. Chem. Prod. Res. Dev., 1979, 18, 2, 135-142, https://doi.org/10.1021/i360070a012 . [all data]

Bajus, Veselý, et al., 1979, 2
Bajus, M.; Veselý, V.; Leclercq, P.A.; Rijks, J.A., Steam cracking of hydrocarbons. 1. Pyrolysis of heptane, Ind. Eng. Chem. Prod. Res. Dev., 1979, 18, 1, 30-37, https://doi.org/10.1021/i360069a007 . [all data]

Chrétien and Dubois, 1977
Chrétien, J.R.; Dubois, J.E., Topological analysis of gas-liquid chromatographic behavior of alkenes, Anal. Chem., 1977, 49, 6, 747-756, https://doi.org/10.1021/ac50014a021 . [all data]

Chretien and Dubois, 1976
Chretien, J.R.; Dubois, J.-E., New Perspectives in the Prediction of Kovats Indices, J. Chromatogr., 1976, 126, 171-189, https://doi.org/10.1016/S0021-9673(01)84071-1 . [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]

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]

Schomburg and Dielmann, 1973
Schomburg, G.; Dielmann, G., Identification by means of retention parameters, J. Chromatogr. Sci., 1973, 11, 3, 151-159, https://doi.org/10.1093/chromsci/11.3.151 . [all data]

Matukuma, 1969
Matukuma, A., Retention indices of alkanes through C10 and alkenes through C8 and relation between boiling points and retention data, Gas Chromatogr., Int. Symp. Anal. Instrum. Div Instrum Soc. Amer., 1969, 7, 55-75. [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]

Zulaïca and Guiochon, 1966
Zulaïca, J.; Guiochon, G., Analyse des hauts polymères par chromatographie en phase gazeuse de leurs produits de pyrolyse. II. Application à quelques hydrocarbures macromoléculaires purs, Bull. Soc. Chim. Fr., 1966, 4, 1351-1363. [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]

Olson, Sinkevitch, et al., 1992
Olson, K.L.; Sinkevitch, R.M.; Sloane, T.M., Speciation and Quantitation of Hydrocarbons in Gasoline Engine Exhaust, J. Chromatogr. Sci., 1992, 30, 12, 500-508, https://doi.org/10.1093/chromsci/30.12.500 . [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]

Zaikin and Borisov, 2002
Zaikin, V.G.; Borisov, R.S., Chromatographic-mass spectrometric analysis of Fishcer-Tropsch synthesis products, J. Anal. Chem. USSR (Engl. Transl.), 2002, 57, 6, 544-551. [all data]

Sojak, Addova, et al., 2000
Sojak, L.; Addova, G.; Kubinec, R.; Ruman, J.; Hu, G., GC-MS characterization of all acyclic C5-C7 alkenes from FCC gasoline using squalane stationary phase, Petroleum and Coal, 2000, 42, 3-4, 188-194. [all data]

Meng and Liu, 1991
Meng, W.; Liu, C., Gas chromatographic analysis of alkene imourities in solvent naphtha, China Synth. Rubber Ind., 1991, 14, 2, 109-111. [all data]

Schomburg, 1966
Schomburg, G., Gaschromatographische Retentionsdaten und Struktur Chemischer Verbindungen. II. Methylverzweigungen und Doppelbindungen in Offenkettigen Kohlenwasserstoffen, J. Chromatogr., 1966, 23, 1-17, https://doi.org/10.1016/S0021-9673(01)98652-2 . [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]

Ramnas, Ostermark, et al., 1994
Ramnas, O.; Ostermark, U.; Peterson, G., Characterization of sixty alkenes in a cat-cracked gasoline naphtha by gas chromatography, Chromatographia, 1994, 38, 3/4, 222-226, https://doi.org/10.1007/BF02290340 . [all data]

Chen and Feng, 2007
Chen, Y.; Feng, C., QSPR study on gas chromatography retention index of some organic pollutants, Comput. Appl. Chem. (China), 2007, 24, 10, 1404-1408. [all data]

Junkes, Castanho, et al., 2003
Junkes, B.S.; Castanho, R.D.M.; Amboni, C.; Yunes, R.A.; Heinzen, V.E.F., Semiempirical Topological Index: A Novel Molecular Descriptor for Quantitative Structure-Retention Relationship Studies, Internet Electronic Journal of Molecular Design, 2003, 2, 1, 33-49. [all data]

Perkin Elmer Instruments, 2002
Perkin Elmer Instruments, Detailed hydrocarbon analysis (DHAX) Model 4015, 2002, retrieved from http://www.perkinelmer.com/instruments. [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]

Spieksma, 1999
Spieksma, W., Determination of vapor liquid equilibrium from the Kovats retention index on dimethylsilicone using the Wilson mixing tool, J. Hi. Res. Chromatogr., 1999, 22, 10, 565-588, https://doi.org/10.1002/(SICI)1521-4168(19991001)22:10<565::AID-JHRC565>3.0.CO;2-2 . [all data]

Ciccioli, Cecinato, et al., 1994
Ciccioli, P.; Cecinato, A.; Brancaleoni, E.; Brachetti, A.; Frattoni, M.; Sparapani, R., Composition and Distribution of Polar and Non-Polar VOCs in Urban, Rural, Forest and Remote Areas, Eur Commission EUR, 1994, 549-568. [all data]

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, J. Chromatogr., 1971, 57, 1-10, https://doi.org/10.1016/0021-9673(71)80001-8 . [all data]


Notes

Go To: Top, Gas phase ion energetics data, Gas Chromatography, References