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Cyclohexene, 3-methyl-

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Phase change data

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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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny, director
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tboil377. ± 5.KAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus150.05KN/AStreiff, 1964Uncertainty assigned by TRC = 0.1 K; TRC
Tfus149.7KN/AAnonymous, 1960Uncertainty assigned by TRC = 1. K; TRC
Tfus150.3KN/AAnonymous, 1957Uncertainty assigned by TRC = 2. K; TRC
Tfus147.3KN/AAnonymous, 1957Uncertainty assigned by TRC = 2. K; TRC
Tfus152.15KN/ABoord, Greenlee, et al., 1946Uncertainty assigned by TRC = 0.5 K; TRC

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
34.8350.AStephenson and Malanowski, 1987Based on data from 335. - 376. K. See also Eisen and Orav, 1970 and Boublik, Fried, et al., 1984.; AC

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


Reaction thermochemistry data

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

Data compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

Cyclohexene, 3-methyl- = Cyclohexene, 1-methyl-

By formula: C7H12 = C7H12

Quantity Value Units Method Reference Comment
Deltar-8.1 ± 0.3kJ/molEqkYursha, Kabo, et al., 1974gas phase; Heat of isomerization at 463 K

Gas phase ion energetics data

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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:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

View reactions leading to C7H12+ (ion structure unspecified)

Ionization energy determinations

IE (eV) Method Reference Comment
8.89 ± 0.01PERang, Paldoia, et al., 1974LLK
8.94 ± 0.03EIWinters and Collins, 1968RDSH
9.12PEBrown, Buschek, et al., 1983Vertical value; LBLHLM

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C3H3+13.85 ± 0.08?EIWinters and Collins, 1968RDSH
C3H5+13.29 ± 0.11?EIWinters and Collins, 1968RDSH
C4H5+13.42 ± 0.07?EIWinters and Collins, 1968RDSH
C4H6+10.94 ± 0.04?EIWinters and Collins, 1968RDSH
C4H7+11.22 ± 0.05?EIWinters and Collins, 1968RDSH
C5H7+10.43 ± 0.05C2H5EIWinters and Collins, 1968RDSH
C5H8+10.50 ± 0.04C2H4EIWinters and Collins, 1968RDSH
C6H9+10.20CH3EILossing and Holmes, 1984LBLHLM
C6H9+9.98 ± 0.07CH3EIWinters and Collins, 1968RDSH

Mass spectrum (electron ionization)

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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 B. Derendyaev, Novosibirsk Institute of Organic Chemistry
NIST MS number 139433

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


Gas Chromatography

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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-101100.747.Diez, Guillen, et al., 1990N2; Column length: 25. m; Column diameter: 0.23 mm
CapillaryOV-10180.742.Diez, Guillen, et al., 1990N2; Column length: 25. m; Column diameter: 0.23 mm
CapillarySqualane100.742.9Diez, Guillen, et al., 1990N2; Column length: 45. m; Column diameter: 0.5 mm
CapillarySqualane80.737.7Diez, Guillen, et al., 1990N2; Column length: 45. m; Column diameter: 0.5 mm
CapillarySE-54100.755.8Diez, Guillen, et al., 1990N2; Column length: 25. m; Column diameter: 0.22 mm
CapillarySE-5480.749.7Diez, Guillen, et al., 1990N2; Column length: 25. m; Column diameter: 0.22 mm
CapillaryBP-1100.748.Bermejo, Blanco, et al., 1987N2; Column length: 12. m; Column diameter: 0.22 mm
CapillaryBP-180.744.Bermejo, Blanco, et al., 1987N2; Column length: 12. m; Column diameter: 0.22 mm
CapillaryOV-101100.747.Bermejo, Blanco, et al., 1987N2; Column length: 25. m; Column diameter: 0.23 mm
CapillaryOV-10180.742.Bermejo, Blanco, et al., 1987N2; Column length: 25. m; Column diameter: 0.23 mm
CapillaryDB-140.732.Lubeck and Sutton, 198460. m/0.264 mm/0.25 «mu»m, H2
CapillaryHP-PONA40.733.Lubeck and Sutton, 198450. m/0.21 mm/0.5 «mu»m, H2
CapillarySE-30130.754.Bredael, 1982Column length: 100. m; Column diameter: 0.5 mm
CapillarySE-3080.743.Bredael, 1982Column length: 100. m; Column diameter: 0.5 mm
CapillarySE-3080.743.3Albaigés and Guardino, 1980He; Column length: 64. m; Column diameter: 0.25 mm
CapillarySqualane80.735.7Albaigés and Guardino, 1980He; Column length: 100. m; Column diameter: 0.25 mm
CapillaryApiezon L100.762.Morishita, Okano, et al., 1980Column length: 45. m; Column diameter: 0.25 mm
CapillarySqualane50.730.6Bajus, Veselý, et al., 1979Column length: 100. m; Column diameter: 0.25 mm
CapillarySqualane70.735.7Bajus, Veselý, et al., 1979Column length: 100. m; Column diameter: 0.25 mm
PackedSqualane30.727.Bogoslovsky, Anvaer, et al., 1978 
PackedSqualane50.735.Bogoslovsky, Anvaer, et al., 1978 
PackedSqualane60.734.Bogoslovsky, Anvaer, et al., 1978 
PackedSqualane70.736.Bogoslovsky, Anvaer, et al., 1978 
PackedSqualane80.739.Bogoslovsky, Anvaer, et al., 1978 
CapillarySqualane100.743.Rang, Orav, et al., 1977Nitrogen or helium; Column length: 100. m; Column diameter: 0.25 mm
CapillarySqualane100.735.Lulova, Leont'eva, et al., 1976He; Column length: 120. m; Column diameter: 0.25 mm
CapillarySqualane100.740.Lulova, Leont'eva, et al., 1976He; Column length: 120. m; Column diameter: 0.25 mm
CapillarySqualane100.745.5Lulova, Leont'eva, et al., 1976He; Column length: 120. m; Column diameter: 0.25 mm
CapillarySqualane55.745.5Lulova, Leont'eva, et al., 1975He; Column length: 120. m; Column diameter: 0.25 mm
CapillarySqualane55.745.5Lulova, Leont'eva, et al., 1975He; Column length: 120. m; Column diameter: 0.25 mm
CapillaryApiezon L100.768.Eisen, Orav, et al., 1972Column length: 45. m; Column diameter: 0.25 mm
CapillaryApiezon L120.777.Eisen, Orav, et al., 1972Column length: 45. m; Column diameter: 0.25 mm
CapillarySqualane30.727.1Eisen, Orav, et al., 1972Column length: 80. m; Column diameter: 0.25 mm
CapillarySqualane60.733.7Eisen, Orav, et al., 1972Column length: 80. m; Column diameter: 0.25 mm
CapillarySqualane80.738.8Eisen, Orav, et al., 1972Column length: 80. m; Column diameter: 0.25 mm
CapillarySqualane30.727.Orav and Eisen, 1972Column length: 80. m; Column diameter: 0.25 mm
CapillarySqualane60.734.Orav and Eisen, 1972Column length: 80. m; Column diameter: 0.25 mm
CapillarySqualane80.739.Orav and Eisen, 1972Column length: 80. m; Column diameter: 0.25 mm
PackedSqualane27.728.Hively and Hinton, 1968He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
PackedSqualane49.734.Hively and Hinton, 1968He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
PackedSqualane67.739.Hively and Hinton, 1968He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
PackedSqualane86.744.Hively and Hinton, 1968He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
CapillarySqualane70.736.Schomburg, 1966 

Kovats' RI, polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
CapillaryPEG 4000100.888.Rang, Orav, et al., 1988 
CapillaryPEG 400060.870.Rang, Orav, et al., 1988 
CapillaryPEG 400080.879.Rang, Orav, et al., 1988 
CapillaryPEG-20M80.873.Rang, Orav, et al., 1988 
CapillaryPEG-20M100.866.Morishita, Okano, et al., 1980Column length: 75. m; Column diameter: 0.25 mm
CapillaryPEG 4000100.888.Rang, Orav, et al., 1977Nitrogen or Helium; Column length: 45. m; Column diameter: 0.25 mm
CapillaryPolyethylene Glycol 4000100.887.9Eisen, Orav, et al., 1972Column length: 80. m; Column diameter: 0.25 mm
CapillaryPolyethylene Glycol 400060.870.0Eisen, Orav, et al., 1972Column length: 80. m; Column diameter: 0.25 mm
CapillaryPolyethylene Glycol 400080.879.2Eisen, Orav, et al., 1972Column length: 80. m; Column diameter: 0.25 mm
CapillaryPEG 4000100.887.9Orav and Eisen, 1972Column length: 80. m; Column diameter: 0.25 mm
CapillaryPEG 400060.870.Orav and Eisen, 1972Column length: 80. m; Column diameter: 0.25 mm
CapillaryPEG 400080.879.2Orav and Eisen, 1972Column length: 80. m; Column diameter: 0.25 mm

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

View large format table.

Column type Active phase I Reference Comment
CapillaryPetrocol DH729.06White, Douglas, et al., 1992100. m/0.25 mm/0.5 «mu»m, He, 1. K/min; Tstart: 30. C; Tend: 220. C
CapillaryPetrocol DH729.1White, Douglas, et al., 1992100. m/0.25 mm/0.5 «mu»m, He, 1. K/min; Tstart: 30. C; Tend: 220. C
CapillaryPetrocol DH729.White, Hackett, et al., 1992100. m/0.25 mm/0.5 «mu»m, He, 1. K/min; Tstart: 30. C; Tend: 220. C
PackedSE-30745.Buchman, Cao, et al., 1984He, Chromosorb AW, 40. C @ 10. min, 10. K/min, 210. C @ 30. min; Column length: 3.05 m

Van Den Dool and Kratz RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
PackedCarbowax 20M847.Buchman, Cao, et al., 1984He, Supelcoport, 40. C @ 10. min, 10. K/min, 210. C @ 30. min; Column length: 3.05 m

Normal alkane RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryPONA736.Zhang, Ding, et al., 200950. m/0.20 mm/0.50 «mu»m, Nitrogen, 35. C @ 15. min, 2. K/min, 200. C @ 10. min
CapillaryOV-101740.Chupalov and Zenkevich, 1996N2, 3. K/min; Column length: 52. m; Column diameter: 0.26 mm; Tstart: 50. C; Tend: 220. C
PackedApiezon L760.Dahlmann, Köser, et al., 1979Chromosorb G-AW-DMCS, 10. K/min; Column length: 2. m; Tstart: 25. C

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

View large format table.

Column type Active phase I Reference Comment
CapillarySqualane743.Chen, 2008Program: not specified
CapillarySqualane740.Chen, 2008Program: not specified
CapillaryMethyl Silicone739.Zenkevich, 2000Program: not specified
CapillaryOV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.743.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified
PackedSE-30748.Robinson and Odell, 1971N2, Chromosorb W; Column length: 6.1 m; Program: 50C910min) => 20C/min => 90(6min) => 10C/min => 150C(hold)
PackedSqualane739.Robinson and Odell, 1971N2, Embacel; Column length: 3.0 m; Program: 25C(5min) => 2C/min => 35 => 4C/min => 95C(hold)

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-Wax852.Peng, Yang, et al., 1991Program: not specified
CapillaryCarbowax 400, Carbowax 20M, Carbowax 1540, Carbowax 4000, Superox 06, PEG 20M, etc.847.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified

References

Go To: Top, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), Gas Chromatography, NIST Free Links, Notes

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

Streiff, 1964
Streiff, A.J., , Am. Pet. Inst. Res. Proj. 58B Unpublished, 1964. [all data]

Anonymous, 1960
Anonymous, R., , Natl. Bur. Stand. (U. S.), Tech. News Bull. 44, 1960. [all data]

Anonymous, 1957
Anonymous, R., , Am. Pet. Inst. Res. Proj. 6, Carnegie-Mellon Univ., 1957. [all data]

Boord, Greenlee, et al., 1946
Boord, C.E.; Greenlee, K.W.; Perilstein, W.L., The Synthesis, Purification and Prop. of Hydrocarbons of Low Mol. Weight, Am. Pet. Inst. Res. Proj. 45, Eighth Annu. Rep., Ohio State Univ., June 30, 1946. [all data]

Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [all data]

Eisen and Orav, 1970
Eisen, O.; Orav, A., Eesti NSV Tead. Akad. Toim. Keem. Geol., 1970, 19, 3, 202. [all data]

Boublik, Fried, et al., 1984
Boublik, T.; Fried, V.; Hala, E., The Vapour Pressures of Pure Substances: Selected Values of the Temperature Dependence of the Vapour Pressures of Some Pure Substances in the Normal and Low Pressure Region, 2nd ed., Elsevier, New York, 1984, 972. [all data]

Yursha, Kabo, et al., 1974
Yursha, I.A.; Kabo, G.Ya.; Andreevskii, D.N., Equilibriums and thermodynamics of the isomerization of methylcyclohexenes, Neftekhimiya, 1974, 14, 688-693. [all data]

Rang, Paldoia, et al., 1974
Rang, S.; Paldoia, P.; Talvari, A., Ionization potentials of unsaturated hydrocarbons. 2. Mono-substituted cyclopentenes and cyclohexenes, Eesti. NSV Tead. Akad. Toim., 1974, 354. [all data]

Winters and Collins, 1968
Winters, R.E.; Collins, J.H., Mass spectrometric studies of structural isomers. I. Mono- and bicyclic C7H12 molecules, J. Am. Chem. Soc., 1968, 90, 1235. [all data]

Brown, Buschek, et al., 1983
Brown, R.S.; Buschek, J.M.; Kopecky, K.R.; Miller, A.J., Photoelectron spectra of syn- and anti-sesquinorbornene. Evidence for vertical «SIGMA»-«pi» delocalization in bicyclo[2.2.1]heptene, J. Org. Chem., 1983, 48, 3692. [all data]

Lossing and Holmes, 1984
Lossing, F.P.; Holmes, J.L., Stabilization energy and ion size in carbocations in the gas phase, J. Am. Chem. Soc., 1984, 106, 6917. [all data]

Diez, Guillen, et al., 1990
Diez, M.A.; Guillen, M.D.; Blanco, C.G.; Bermejo, J., Chromatographic study of methylcyclopentadiene dimers and iso-dimers and determination of their boiling points, J. Chromatogr., 1990, 508, 363-374, https://doi.org/10.1016/S0021-9673(00)91279-2 . [all data]

Bermejo, Blanco, et al., 1987
Bermejo, J.; Blanco, C.G.; Diez, M.A.; Guillén, M.D., Kováts retention indices of selected mono and polycyclic olefins, J. Hi. Res. Chromatogr. Chromatogr. Comm., 1987, 10, 8, 461-463, https://doi.org/10.1002/jhrc.1240100809 . [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]

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]

Morishita, Okano, et al., 1980
Morishita, F.; Okano, T.; Kojima, T., Retention indices of monocyclic monoterpene hydrocarbons, Bunseki Kagaku, 1980, 29, 1, 48-53, https://doi.org/10.2116/bunsekikagaku.29.48 . [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]

Bogoslovsky, Anvaer, et al., 1978
Bogoslovsky, Yu.N.; Anvaer, B.I.; Vigdergauz, M.S., Chromatographic constants in gas chromatography (in Russian), Standards Publ. House, Moscow, 1978, 192. [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]

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]

Lulova, Leont'eva, et al., 1975
Lulova, N.I.; Leont'eva, S.A.; Fedosova, A.K.; Kvasova, V.A., Individual composition of hydrocarbons in naphthas from secondary processes, Chem. Technol. Fuels Oils (Engl. Transl.), 1975, 11, 1/2, 59-64, https://doi.org/10.1007/BF00717315 . [all data]

Eisen, Orav, et al., 1972
Eisen, O.; Orav, A.; Rang, S., Identifizierung von Normal-Alkenen, Cyclopentenen und -Hexenen mittels Kapillar-Gas-Chromatographie. Identification des alcènes, cyclopentènes et -hexènes à l'aide de la chromatogrpahie en phase gazeuse sur colonne capillaire, Chromatographia, 1972, 5, 11, 229-239, https://doi.org/10.1007/BF02270600 . [all data]

Orav and Eisen, 1972
Orav, A.; Eisen, O., The retention indexes for alkenes, alkynes and cyclenes on capillary columns, Izv. Akad. Nauk Est. SSR, Khim. Geol., 1972, 21, 1, 39-47. [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]

Rang, Orav, et al., 1988
Rang, S.A.; Orav, A.E.; Kuningas, K.R.; Meister, A.E.; Strense, T.V.; Eisen, O.G., Gas-Chromatographic Characteristics of unsaturated hydrocarbons, Academy of Sciences of Estonia SSR, Tallinn, Estonia SSR, 1988, 208. [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]

Buchman, Cao, et al., 1984
Buchman, O.; Cao, G.-Y.; Peng, C.T., Structure assignment by retention index in gas-liquid radiochromatography of substituted cyclohexenes, J. Chromatogr., 1984, 312, 75-90, https://doi.org/10.1016/S0021-9673(01)92765-7 . [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]

Chupalov and Zenkevich, 1996
Chupalov, A.A.; Zenkevich, I.G., Chromatographic Characterization of Structural Transformations of Organic Compounds in Diels-Alder Reaction. Aliphatic Dienes and Dienophyls, Zh. Org. Khim., 1996, 32, 6, 675-684. [all data]

Dahlmann, Köser, et al., 1979
Dahlmann, G.; Köser, H.J.K.; Oelert, H.H., Multiple korrelation von retentionsindizes, Chromatographia, 1979, 12, 10, 665-671, https://doi.org/10.1007/BF02302943 . [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, 2000
Zenkevich, I.G., Mutual Correlation between Gas Chromatographic Retention Indices of Unsaturated and Saturated Hydrocarbons found by Molecular Dynamics, Z. Anal. Chem., 2000, 55, 10, 1091-1097. [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]

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]

Peng, Yang, et al., 1991
Peng, C.T.; Yang, Z.C.; Ding, S.F., Prediction of rentention idexes. II. Structure-retention index relationship on polar columns, J. Chromatogr., 1991, 586, 1, 85-112, https://doi.org/10.1016/0021-9673(91)80028-F . [all data]


Notes

Go To: Top, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), Gas Chromatography, NIST Free Links, References