Pentane, 3-ethyl-

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Gas phase 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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow

Quantity Value Units Method Reference Comment
Δfgas-189.7 ± 1.2kJ/molCcbProsen and Rossini, 1945ALS
Δfgas-191.4kJ/molN/ADavies and Gilbert, 1941Value computed using ΔfHliquid° value of -226.7±1.3 kj/mol from Davies and Gilbert, 1941 and ΔvapH° value of 35.3 kj/mol from Prosen and Rossini, 1945.; DRB
Quantity Value Units Method Reference Comment
gas411.50J/mol*KN/AHuffman H.M., 1961GT

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
125.35200.Scott D.W., 1974Recommended values were obtained from the consistent correlation scheme for alkanes [ Scott D.W., 1974, 2, Scott D.W., 1974]. This approach gives a good agreement with experimental data available for alkanes. However, large uncertainties could be expected at high temperatures.; GT
155.06273.15
166.0 ± 1.1298.15
166.82300.
211.54400.
252.63500.
288.28600.
318.40700.
343.92800.
366.10900.
385.351000.
402.081100.
416.311200.
430.951300.
439.321400.
451.871500.

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

Heptane = Pentane, 3-ethyl-

By formula: C7H16 = C7H16

Quantity Value Units Method Reference Comment
Δr-0.59 ± 0.96kJ/molCcbProsen and Rossini, 1941liquid phase; Heat of Isomerization
Δr-2.2 ± 1.1kJ/molCcbProsen and Rossini, 1941gas phase; Heat of Isomerization

Hydrogen + 1-Pentene, 3-ethyl- = Pentane, 3-ethyl-

By formula: H2 + C7H14 = C7H16

Quantity Value Units Method Reference Comment
Δr-120.6 ± 1.3kJ/molChydRogers and Dejroongruang, 1989liquid phase; solvent: Cyclohexane

Hydrogen + 2-Pentene, 3-ethyl- = Pentane, 3-ethyl-

By formula: H2 + C7H14 = C7H16

Quantity Value Units Method Reference Comment
Δr-106.8 ± 0.8kJ/molChydRogers and Dejroongruang, 1989liquid phase; solvent: Cyclohexane

3Hydrogen + 3-Ethylidene-1,4-pentadiene = Pentane, 3-ethyl-

By formula: 3H2 + C7H10 = C7H16

Quantity Value Units Method Reference Comment
Δr-349. ± 0.4kJ/molChydRoth, Adamczak, et al., 1991liquid phase

3Hydrogen + Cyclopropane, 1,1-diethenyl- = Pentane, 3-ethyl-

By formula: 3H2 + C7H10 = C7H16

Quantity Value Units Method Reference Comment
Δr-391. ± 0.8kJ/molChydRoth, Adamczak, et al., 1991liquid phase

Gas Chromatography

Go To: Top, Gas phase thermochemistry data, Reaction 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

View large format table.

Column type Active phase Temperature (C) I Reference Comment
CapillarySqualane100.687.Heinzen, Soares, et al., 1999 
CapillaryOV-1010.683.Skrbic, 1997 
CapillaryCP Sil 260.687.3Estel, Mohnke, et al., 1995100. m/0.25 mm/0.25 μm
CapillarySqualane25.685.Hilal, Carreira, et al., 1994 
CapillaryDB-160.687.0Krupcik, Skacani, et al., 1994H2; Phase thickness: 0.25 μm
CapillaryPONA60.687.4Krupcik, Skacani, et al., 1994H2; Phase thickness: 0.5 μm
CapillaryPONA60.687.4Krupcik, Skacani, et al., 1994H2; Phase thickness: 0.5 μm
CapillaryDB-160.687.4Krupcik, Skacani, et al., 1994H2; Phase thickness: 1. μm
CapillaryOV-10160.687.9Krupcik, Skacani, et al., 1994H2; Phase thickness: 0.2 μm
CapillaryOV-145.686.4Guan, Kiraly, et al., 198925. m/0.31 mm/0.52 μm, He
CapillaryOV-165.687.5Guan, Kiraly, et al., 198925. m/0.31 mm/0.52 μm, He
CapillarySqualane50.686.Guan, Kiraly, et al., 198950. m/0.22 mm/0.21 μm, He
CapillarySqualane70.687.1Guan, Kiraly, et al., 198950. m/0.22 mm/0.21 μm, He
CapillarySqualane50.685.4Lunskii and Paizanskaya, 1988He; Column length: 50. m; Column diameter: 0.22 mm
CapillarySqualane70.686.4Lunskii and Paizanskaya, 1988He; Column length: 50. m; Column diameter: 0.22 mm
CapillaryNonpolar55.686.Stoyanov and Dimov, 1987 
CapillaryNonpolar60.687.Stoyanov and Dimov, 1987 
CapillaryNonpolar65.687.Stoyanov and Dimov, 1987 
CapillaryOV-10140.685.5Boneva and Dimov, 1986100. m/0.27 mm/0.9 μm
CapillaryOV-10150.686.1Boneva and Dimov, 1986100. m/0.27 mm/0.9 μm
CapillaryOV-10160.686.6Boneva and Dimov, 1986100. m/0.27 mm/0.9 μm
CapillaryOV-10170.687.2Boneva and Dimov, 1986100. m/0.27 mm/0.9 μm
CapillaryDB-160.687.Lubeck and Sutton, 1983Column length: 60. m; Column diameter: 0.264 mm
CapillaryDB-160.687.4Lubeck and Sutton, 198360. m/0.259 mm/1. μm
CapillaryOV-10150.686.Johansen and Ettre, 1982100. m/0.27 mm/0.20 μm
CapillaryOV-10150.686.Johansen and Ettre, 198255. m/0.27 mm/0.9 μm
CapillarySF-9650.686.Johansen and Ettre, 198291.4 m/0.31 mm/0.20 μm
CapillaryOV-160.679.Nijs and Jacobs, 1981He; Column length: 150. m; Column diameter: 0.50 mm
CapillarySqualane50.686.2Bajus, Veselý, et al., 1979Column length: 100. m; Column diameter: 0.25 mm
CapillarySqualane70.686.4Bajus, Veselý, et al., 1979Column length: 100. m; Column diameter: 0.25 mm
PackedTriacontane70.686.Castello and D'Amato, 1979He, Chromosorb W AW (60-80 mesh); Column length: 3. m
PackedTriacontane80.686.Castello and D'Amato, 1979He, Chromosorb W AW (60-80 mesh); Column length: 3. m
PackedSqualane70.688.Castello and D'Amato, 1979He, Chromosorb W AW (60-80 mesh); Column length: 3. m
PackedSqualane80.688.Castello and D'Amato, 1979He, Chromosorb W AW (60-80 mesh); Column length: 3. m
PackedOV-180.688.Dimov and Papazova, 1979Chromosorb W AW DMCS (80-100 mesh); Column length: 4. m
CapillarySqualane60.687.Chretien and Dubois, 1976 
CapillarySqualane100.683.5Lulova, Leont'eva, et al., 1976He; Column length: 120. m; Column diameter: 0.25 mm
CapillarySqualane100.683.5Lulova, Leont'eva, et al., 1976He; Column length: 120. m; Column diameter: 0.25 mm
CapillarySqualane50.686.Rijks and Cramers, 1974N2; Column length: 100. m; Column diameter: 0.25 mm
CapillarySqualane70.687.Rijks and Cramers, 1974N2; Column length: 100. m; Column diameter: 0.25 mm
CapillaryApiezon L100.688.Rappoport and Gäumann, 1973 
CapillaryVacuum Grease Oil (VM-4)35.684.Sidorov, Petrova, et al., 1972 
CapillaryVacuum Grease Oil (VM-4)45.685.Sidorov, Petrova, et al., 1972 
CapillaryVacuum Grease Oil (VM-4)50.685.Sidorov, Petrova, et al., 1972 
CapillaryVacuum Grease Oil (VM-4)58.686.Sidorov, Petrova, et al., 1972 
CapillaryVacuum Grease Oil (VM-4)68.687.Sidorov, Petrova, et al., 1972 
CapillarySqualane70.686.3Dimov and Schopov, 1971Column length: 100. m; Column diameter: 0.25 mm
PackedSE-3075.691.Robinson and Odell, 1971N2, Chromosorb W; Column length: 6.1 m
PackedSqualane100.689.Robinson and Odell, 1971N2, Embacel; Column length: 3.0 m
PackedSE-3080.688.Mitra and Saha, 1970N2
PackedSqualane25.685.Mitra and Saha, 1970N2
PackedSqualane80.688.Mitra and Saha, 1970N2
CapillarySqualane40.686.Matukuma, 1969N2; Column length: 91.4 m; Column diameter: 0.25 mm
PackedSqualane27.685.Hively and Hinton, 1968He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
PackedSqualane49.686.Hively and Hinton, 1968He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
PackedSqualane67.687.Hively and Hinton, 1968He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
PackedSqualane86.688.Hively and Hinton, 1968He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
PackedSqualane30.684.5Tourres, 1967H2; Column length: 10. m
PackedSqualane50.686.Tourres, 1967H2; Column length: 10. m
CapillarySqualane30.685.Tourres, 1967, 2H2; Column length: 100. m; Column diameter: 0.25 mm
CapillarySqualane50.686.Tourres, 1967, 2H2; Column length: 100. m; Column diameter: 0.25 mm
CapillarySqualane70.687.Tourres, 1967, 2H2; Column length: 100. m; Column diameter: 0.25 mm
PackedSqualane100.689.Evans, 1966Untreated celite; Column length: 1.8 m
PackedSqualane22.684.Evans, 1966Untreated celite; Column length: 1.8 m
PackedSqualane30.685.Evans, 1966Untreated celite; Column length: 1.8 m
PackedSqualane40.685.Evans, 1966Untreated celite; Column length: 1.8 m
PackedSqualane55.687.Evans, 1966Untreated celite; Column length: 1.8 m
PackedSqualane60.686.Evans, 1966Untreated celite; Column length: 1.8 m
PackedSqualane70.687.Evans, 1966Untreated celite; Column length: 1.8 m
PackedSqualane80.688.Evans, 1966Untreated celite; Column length: 1.8 m
PackedSqualane26.684.Zulaïca and Guiochon, 1966Column length: 10. m

Kovats' RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryOV-101682.Hayes and Pitzer, 1982110. m/0.25 mm/0.20 μm, He, 1. K/min; Tstart: 35. C; Tend: 200. C
CapillaryApiezon L685.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-100685.9Haagen-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 DH684.7Censullo, Jones, et al., 200350. m/0.25 mm/0.5 μm, He, 35. C @ 10. min, 3. K/min, 200. C @ 10. min
CapillarySPB-1679.79LECO Corporation, 200330. m/0.25 mm/0.25 μm, 40. C @ 2. min, 10. K/min, 250. C @ 2. min
CapillarySPB-1680.52LECO Corporation, 200330. m/0.25 mm/0.25 μm, 40. C @ 2. min, 10. K/min, 250. C @ 2. min
CapillaryOV-101683.0Yin, Liu, et al., 2001N2, 1. K/min; Column length: 80. m; Column diameter: 0.22 mm; Tstart: 30. C; Tend: 130. C
CapillaryPetrocol DH682.17Subramaniam, Bochniak, et al., 1994100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C
CapillaryPetrocol DH682.20Subramaniam, Bochniak, et al., 1994100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C
CapillaryUltra-1683.Olson, Sinkevitch, et al., 19924. K/min; Tstart: -40. C; Tend: 230. C
CapillaryPetrocol DH683.White, Hackett, et al., 1992100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C
CapillaryUltra-1683.88Haynes and Pitzer, 198550. m/0.22 mm/0.33 μm, He, 1. K/min; Tstart: -30. C; Tend: 240. C
CapillaryUltra-1684.72Haynes and Pitzer, 198550. m/0.22 mm/0.33 μm, He, 2. K/min; Tstart: -30. C; Tend: 240. C
CapillaryUltra-1685.24Haynes and Pitzer, 198550. m/0.22 mm/0.33 μm, He, 3. K/min; Tstart: -30. C; Tend: 240. C
CapillaryUltra-2684.11Haynes and Pitzer, 198550. m/0.22 mm/0.33 μm, He, 1. K/min; Tstart: -30. C; Tend: 240. C
CapillaryUltra-2684.98Haynes and Pitzer, 198550. m/0.22 mm/0.33 μm, He, 2. K/min; Tstart: -30. C; Tend: 240. C
CapillaryUltra-2685.47Haynes and Pitzer, 198550. m/0.22 mm/0.33 μm, He, 3. K/min; Tstart: -30. C; Tend: 240. C
CapillaryOV-101682.Hayes and Pitzer, 1981108. 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

View large format table.

Column type Active phase I Reference Comment
CapillaryOV-101683.Wu and Lu, 1984Program: not specified

Normal alkane RI, non-polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillaryMethyl Silicone50.686.N/AN2; Column length: 74.6 m; Column diameter: 0.28 mm
CapillaryOV-10150.686.Wu and Lu, 1984, 2 
CapillaryOV-10170.687.Wu and Lu, 1984, 2 
CapillarySqualane100.689.Dimov N., 1976 
CapillarySqualane70.687.Dimov N., 1976 
CapillarySqualane86.683.Vigdergauz and Martynov, 1971He; Column length: 150. m; Column diameter: 0.35 mm
CapillaryApiezon L40. to 190.687.Mann, Mühlstädt, et al., 1967Column length: 2. m
PackedMethyl Silicone50.681.Huguet, 1961Nitrogen, Celite C-22; Column length: 2.5 m

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryPolydimethyl siloxane: CP-Sil 5 CB686.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 DH683.Supelco, 2012100. m/0.25 mm/0.50 μm, Helium, 20. C @ 15. min, 15. K/min, 220. C @ 30. min
CapillarySE-54683.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
CapillaryMethyl Silicone688.Chen and Feng, 2007Program: not specified
CapillaryMethyl Silicone686.Feng and Mu, 2007Program: not specified
CapillaryOV-101687.Du and Liang, 2003Program: not specified
CapillaryPolydimethyl siloxane687.Junkes, Castanho, et al., 2003Program: not specified
CapillaryPolydimethyl siloxanes683.Yin, Guo, et al., 2001Program: not specified
CapillaryMethyl Silicone687.Zenkevich and Marinichev, 2001Program: not specified
CapillaryMethyl Silicone685.Spieksma, 1999Program: not specified
CapillaryMethyl Silicone687.Zenkevich, 1999Program: not specified
CapillaryDB-1682.Ciccioli, Cecinato, et al., 199460. m/0.32 mm/0.25 μm; Program: not specified
CapillaryOV-101683.Skrbic and Cvejanov, 1993Program: not specified
CapillarySqualane687.Petrov, 1984Program: not specified
CapillaryOV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.682.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified
PackedSE-30692.Robinson and Odell, 1971N2, Chromosorb W; Column length: 6.1 m; Program: 50C910min) => 20C/min => 90(6min) => 10C/min => 150C(hold)
PackedSqualane691.Robinson and Odell, 1971N2, Embacel; Column length: 3.0 m; Program: 25C(5min) => 2C/min => 35 => 4C/min => 95C(hold)
PackedSE-30692.Robinson and Odell, 1971, 2Chrom W; Column length: 6.1 m; Program: 50C(10min) => 20C/min(2min) => 90C(6min) => 10C/min(6min) => (hold at 150C)
PackedSqualane691.Robinson and Odell, 1971, 2Embacel; Column length: 3.0 m; Program: 25C(5min) => 2C/min(5min) => 4C/min(15min) => (hold at 95C)

References

Go To: Top, Gas phase thermochemistry data, Reaction 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.

Prosen and Rossini, 1945
Prosen, E.J.; Rossini, F.D., Heats of combustion and formation of the paraffin hydrocarbons at 25° C, J. Res. NBS, 1945, 263-267. [all data]

Davies and Gilbert, 1941
Davies, G.F.; Gilbert, E.C., Heats of combustion and formation of the nine isomeric heptanes in the liquid state, J. Am. Chem. Soc., 1941, 63, 2730-2732. [all data]

Huffman H.M., 1961
Huffman H.M., Low temperature thermodynamic properties of six isomeric heptanes, J. Phys. Chem., 1961, 65, 495-503. [all data]

Scott D.W., 1974
Scott D.W., Chemical Thermodynamic Properties of Hydrocarbons and Related Substances. Properties of the Alkane Hydrocarbons, C1 through C10 in the Ideal Gas State from 0 to 1500 K. U.S. Bureau of Mines, Bulletin 666, 1974. [all data]

Scott D.W., 1974, 2
Scott D.W., Correlation of the chemical thermodynamic properties of alkane hydrocarbons, J. Chem. Phys., 1974, 60, 3144-3165. [all data]

Prosen and Rossini, 1941
Prosen, E.J.R.; Rossini, F.D., Heats of isomerization of the nine heptanes, J. Res. NBS, 1941, 27, 519-528. [all data]

Rogers and Dejroongruang, 1989
Rogers, D.W.; Dejroongruang, K., Enthalpies of hydrogenation of the dimethylpentenes, ethylpentenes, methylbutene, and trimethylbutene, J. Chem. Thermodyn., 1989, 21, 1115-1120. [all data]

Roth, Adamczak, et al., 1991
Roth, W.R.; Adamczak, O.; Breuckmann, R.; Lennartz, H.-W.; Boese, R., Die Berechnung von Resonanzenergien; das MM2ERW-Kraftfeld, Chem. Ber., 1991, 124, 2499-2521. [all data]

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 . [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]

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]

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]

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. 1. Pyrolysis of heptane, Ind. Eng. Chem. Prod. Res. Dev., 1979, 18, 1, 30-37, https://doi.org/10.1021/i360069a007 . [all data]

Castello and D'Amato, 1979
Castello, G.; D'Amato, G., Use of Linear and Branched-Chain Paraffinic Liquid Phases as Non-Polar Reference Materials in Gas Chromatography, J. Chromatogr., 1979, 175, 1, 27-35, https://doi.org/10.1016/S0021-9673(00)86400-6 . [all data]

Dimov and Papazova, 1979
Dimov, N.; Papazova, D., Calculation of retention indices of isoparaffins on different phases, Chromatographia, 1979, 12, 7, 443-447, https://doi.org/10.1007/BF02302987 . [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]

Rappoport and Gäumann, 1973
Rappoport, S.; Gäumann, T., 114. L'indice de rétention des alcanes isomères en chromatographie en phase gazeuse, Helv. Chim. Acta, 1973, 56, 3, 1145-1158, https://doi.org/10.1002/hlca.19730560338 . [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]

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]

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]

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]

Tourres, 1967
Tourres, D.A., Structural analysis of industrial butene dimers by gas chromatography, J. Gas Chromatogr., 1967, 5, 1, 35-40, https://doi.org/10.1093/chromsci/5.1.35 . [all data]

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, J. Chromatogr., 1967, 30, 357-377, https://doi.org/10.1016/S0021-9673(00)84168-0 . [all data]

Evans, 1966
Evans, M.B., Retention indices of solutes on squalane, dinonyl phthalate, and polyethylene glycol 400, J. Gas Chromatogr., 1966, 4, 1, 1-3, https://doi.org/10.1093/chromsci/4.1.1 . [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]

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]

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]

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]

Haynes and Pitzer, 1985
Haynes, P.C., Jr.; Pitzer, E.W., Disengaging solutes in shale- and petroleum-derived jet fuels by altering GC programmed temperature rates, J. Hi. Res. Chromatogr. Chromatogr. Comm., 1985, 8, 5, 230-242, https://doi.org/10.1002/jhrc.1240080504 . [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., Hydrocarbon analysis by open-tubular column chromatography with programmed temperature for straight run gasoline, Anal. Chem., 1984, 12, 7, 572-578. [all data]

Wu and Lu, 1984, 2
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]

Dimov N., 1976
Dimov N., Quantitative gas chromatographic analysis and determination of solute properties. An exact equation for the calculation of the retention indices of isoalkanes on Squalane, J. Chromatogr., 1976, 119, 109-118, https://doi.org/10.1016/S0021-9673(00)86775-8 . [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]

Mann, Mühlstädt, et al., 1967
Mann, G.; Mühlstädt, M.; Braband, J.; Döring, E., Konformation und physikalische daten von alkanen und cyclanen. II. Einfach und zweifach verzweigte alkane, Tetrahedron, 1967, 23, 8, 3393-3401, https://doi.org/10.1016/S0040-4020(01)92305-1 . [all data]

Huguet, 1961
Huguet, M., Kovats retention indices in the qualitative analysis of light hydrocarbons by gas chromatography, Journees internationales d'etude des methodes de separation immediate et de chromatographie, 1961, 69. [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]

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 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]

Feng and Mu, 2007
Feng, H.; Mu, L.-L., Quantitative structure-retention relationships for alkane and its derivatives based on electrotopological state index and molecular shape index, Chem. Ind. Engineering (Chinese), 2007, 24, 2, 161-168. [all data]

Du and Liang, 2003
Du, Y.; Liang, Y., Data mining for seeking accurate quantitative relationship between molecular structure and GC retention indices of alkanes by projection pursuit, Comput. Biol. Chem., 2003, 27, 3, 339-353, https://doi.org/10.1016/S1476-9271(02)00081-6 . [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]

Yin, Guo, et al., 2001
Yin, C.; Guo, W.; Lin, T.; Liu, S.; Fu, R.; Pan, Z.; Wang, L., Application of wavelet neural network to the prediction of gas chromatographic retention indices of alkanes, J. Chinese Chem. Soc., 2001, 48, 739-749. [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]

Zenkevich, 1999
Zenkevich, I.G., Dependence of Gas Chromatographic Retention Indices on Dynamics Molecular Characteristics, Zh. Fiz. Khim., 1999, 73, 5, 905-910. [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]

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]

Petrov, 1984
Petrov, A.A., Hydrocarbons of petroleum, Nauka (publishing house), Moscow, 1984, 263. [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, 2
Robinson, P.G.; Odell, A.L., Comparison of isothermal and non-linear temperature programmed gas chromatography. The temperature dependence of the retention indices of a number of hydrocarbons on squalane and SE-30, J. Chromatogr., 1971, 57, 11-17, https://doi.org/10.1016/0021-9673(71)80002-X . [all data]


Notes

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