Hexane, 2-methyl-

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Gas phase thermochemistry 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 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-46.60 ± 0.30kcal/molCcbProsen and Rossini, 1945ALS
Δfgas-46.89kcal/molN/ADavies and Gilbert, 1941Value computed using ΔfHliquid° value of -231.0±1.0 kj/mol from Davies and Gilbert, 1941 and ΔvapH° value of 34.8 kj/mol from Prosen and Rossini, 1945.; DRB
Quantity Value Units Method Reference Comment
gas100.38cal/mol*KN/AHuffman H.M., 1961GT

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
28.339200.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
36.511273.15
39.32 ± 0.05298.15
39.520300.
50.660400.
60.660500.
69.199600.
76.401700.
82.600800.
87.899900.
92.4001000.
96.4011100.
99.7991200.
103.001300.
106.001400.
108.001500.

Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry 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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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 Japan AIST/NIMC Database- Spectrum MS-NW-4009
NIST MS number 231737

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Gas Chromatography

Go To: Top, Gas phase thermochemistry 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-10140.666.9Chen, Liang, et al., 2001He; Column length: 50. m; Column diameter: 0.25 mm
CapillaryOV-10160.667.3Chen, Liang, et al., 2001He; Column length: 50. m; Column diameter: 0.25 mm
CapillarySqualane100.667.Heinzen, Soares, et al., 1999 
CapillaryOV-1010.665.Skrbic, 1997 
CapillaryOV-1010.667.Skrbic, 1997 
PackedSqualane78.5667.8Zhang and Lu, 1996 
CapillaryCP Sil 260.664.7Estel, Mohnke, et al., 1995100. m/0.25 mm/0.25 μm
CapillarySqualane25.666.Hilal, Carreira, et al., 1994 
CapillaryDB-160.667.8Krupcik, Skacani, et al., 1994H2; Phase thickness: 0.25 μm
CapillaryPONA60.667.8Krupcik, Skacani, et al., 1994H2; Phase thickness: 0.5 μm
CapillaryPONA60.667.8Krupcik, Skacani, et al., 1994H2; Phase thickness: 0.5 μm
CapillaryDB-160.667.8Krupcik, Skacani, et al., 1994H2; Phase thickness: 1. μm
CapillaryOV-10160.667.7Krupcik, Skacani, et al., 1994H2; Phase thickness: 0.2 μm
CapillaryBP-10.665.Skrbic and Cvejanov, 199215. m/0.53 mm/1.0 μm, N2
CapillaryOV-145.667.6Guan, Kiraly, et al., 198920. m/0.32 mm/1.2 μm, He
CapillaryOV-165.667.7Guan, Kiraly, et al., 198920. m/0.32 mm/1.2 μm, He
CapillaryOV-145.667.6Guan, Kiraly, et al., 198925. m/0.31 mm/0.52 μm, He
CapillaryOV-165.668.1Guan, Kiraly, et al., 198925. m/0.31 mm/0.52 μm, He
CapillarySqualane50.666.6Guan, Kiraly, et al., 198950. m/0.22 mm/0.21 μm, He
CapillarySqualane70.666.9Guan, Kiraly, et al., 198950. m/0.22 mm/0.21 μm, He
CapillaryHP-160.668.Bangjie, Yijian, et al., 1988N2; Column length: 25. m; Column diameter: 0.20 mm
CapillaryHP-160.668.Bangjie, Yijian, et al., 1988N2; Column length: 25. m; Column diameter: 0.20 mm
CapillaryOV-10140.666.Laub and Purnell, 1988 
CapillaryOV-10160.667.Laub and Purnell, 1988 
CapillaryOV-10180.667.Laub and Purnell, 1988 
CapillarySqualane50.666.1Lunskii and Paizanskaya, 1988He; Column length: 50. m; Column diameter: 0.22 mm
CapillarySqualane70.666.4Lunskii and Paizanskaya, 1988He; Column length: 50. m; Column diameter: 0.22 mm
CapillaryOV-10140.667.1Boneva and Dimov, 1986100. m/0.27 mm/0.9 μm
CapillaryOV-10150.667.4Boneva and Dimov, 1986100. m/0.27 mm/0.9 μm
CapillaryOV-10160.667.5Boneva and Dimov, 1986100. m/0.27 mm/0.9 μm
CapillaryOV-10170.667.6Boneva and Dimov, 1986100. m/0.27 mm/0.9 μm
CapillaryOV-10130.666.Chien, Furio, et al., 1983 
CapillaryOV-10140.666.Chien, Furio, et al., 1983 
CapillaryOV-10150.666.Chien, Furio, et al., 1983 
CapillaryOV-10160.667.Chien, Furio, et al., 1983 
CapillaryOV-10170.667.Chien, Furio, et al., 1983 
CapillaryOV-10180.667.Chien, Furio, et al., 1983 
CapillaryDB-160.667.8Lubeck and Sutton, 1983Column length: 60. m; Column diameter: 0.264 mm
CapillaryDB-160.667.8Lubeck and Sutton, 198360. m/0.259 mm/1. μm
CapillaryOV-150.667.Anders, Scheller, et al., 1982Column length: 55. m; Column diameter: 0.21 mm
CapillaryOV-10150.667.Johansen and Ettre, 1982100. m/0.27 mm/0.20 μm
CapillaryOV-10150.668.Johansen and Ettre, 198255. m/0.27 mm/0.9 μm
CapillarySF-9650.667.Johansen and Ettre, 198291.4 m/0.31 mm/0.20 μm
CapillarySqualane50.666.Mitra, 1981N2; Column length: 100. m; Column diameter: 0.25 mm
CapillarySqualane50.667.Mitra, 1981N2; Column length: 100. m; Column diameter: 0.25 mm
CapillaryOV-160.663.Nijs and Jacobs, 1981He; Column length: 150. m; Column diameter: 0.50 mm
CapillarySqualane50.666.6Bajus, Veselý, et al., 1979Column length: 100. m; Column diameter: 0.25 mm
CapillarySqualane70.667.1Bajus, Veselý, et al., 1979Column length: 100. m; Column diameter: 0.25 mm
CapillarySqualane50.666.6Bajus, Veselý, et al., 1979, 2Column length: 100. m; Column diameter: 0.25 mm
CapillarySqualane70.666.2Bajus, Veselý, et al., 1979, 2Column length: 100. m; Column diameter: 0.25 mm
PackedTriacontane70.666.Castello and D'Amato, 1979He, Chromosorb W AW (60-80 mesh); Column length: 3. m
PackedTriacontane80.666.Castello and D'Amato, 1979He, Chromosorb W AW (60-80 mesh); Column length: 3. m
PackedSqualane70.668.Castello and D'Amato, 1979He, Chromosorb W AW (60-80 mesh); Column length: 3. m
PackedSqualane80.668.Castello and D'Amato, 1979He, Chromosorb W AW (60-80 mesh); Column length: 3. m
CapillarySqualane60.667.Chretien and Dubois, 1976 
CapillarySqualane100.669.Lulova, Leont'eva, et al., 1976He; Column length: 120. m; Column diameter: 0.25 mm
CapillarySqualane100.667.8Lulova, Leont'eva, et al., 1976He; Column length: 120. m; Column diameter: 0.25 mm
CapillarySqualane100.667.8Lulova, Leont'eva, et al., 1976He; Column length: 120. m; Column diameter: 0.25 mm
CapillarySqualane50.667.Rijks, van den Berg, et al., 1974 
CapillarySqualane50.667.Rijks, van den Berg, et al., 1974 
CapillarySqualane50.667.Rijks, van den Berg, et al., 1974 
CapillarySqualane50.667.Rijks, van den Berg, et al., 1974 
CapillarySqualane70.667.Rijks, van den Berg, et al., 1974 
CapillarySqualane70.667.Rijks, van den Berg, et al., 1974 
CapillarySqualane50.667.Rijks and Cramers, 1974N2; Column length: 100. m; Column diameter: 0.25 mm
CapillarySqualane70.667.Rijks and Cramers, 1974N2; Column length: 100. m; Column diameter: 0.25 mm
PackedSF-96100.669.01Castello, Berg, et al., 1973Chromosorb P(DMCS); Column length: 4. m
PackedSF-96110.669.5Castello, Berg, et al., 1973Chromosorb P(DMCS); Column length: 4. m
PackedSF-96120.669.95Castello, Berg, et al., 1973Chromosorb P(DMCS); Column length: 4. m
PackedSF-9680.668.35Castello, Berg, et al., 1973Chromosorb P(DMCS); Column length: 4. m
PackedSF-9690.668.68Castello, Berg, et al., 1973Chromosorb P(DMCS); Column length: 4. m
CapillaryVacuum Grease Oil (VM-4)35.665.Sidorov, Petrova, et al., 1972 
CapillaryVacuum Grease Oil (VM-4)45.665.Sidorov, Petrova, et al., 1972 
CapillaryVacuum Grease Oil (VM-4)50.665.Sidorov, Petrova, et al., 1972 
CapillaryVacuum Grease Oil (VM-4)58.665.Sidorov, Petrova, et al., 1972 
CapillaryVacuum Grease Oil (VM-4)68.666.Sidorov, Petrova, et al., 1972 
CapillarySqualane70.666.9Dimov and Schopov, 1971Column length: 100. m; Column diameter: 0.25 mm
PackedSE-3075.668.Robinson and Odell, 1971N2, Chromosorb W; Column length: 6.1 m
PackedSqualane100.668.Robinson and Odell, 1971N2, Embacel; Column length: 3.0 m
PackedSE-3080.667.Mitra and Saha, 1970N2
PackedSqualane25.667.Mitra and Saha, 1970N2
PackedSqualane80.667.Mitra and Saha, 1970N2
CapillarySqualane40.670.Matukuma, 1969N2; Column length: 91.4 m; Column diameter: 0.25 mm
PackedSqualane27.666.Hively and Hinton, 1968He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
PackedSqualane49.667.Hively and Hinton, 1968He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
PackedSqualane67.667.Hively and Hinton, 1968He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
PackedSqualane86.667.Hively and Hinton, 1968He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
PackedSqualane30.666.Tourres, 1967H2; Column length: 10. m
PackedSqualane50.666.5Tourres, 1967H2; Column length: 10. m
CapillarySqualane30.666.Tourres, 1967, 2H2; Column length: 100. m; Column diameter: 0.25 mm
CapillarySqualane50.666.Tourres, 1967, 2H2; Column length: 100. m; Column diameter: 0.25 mm
CapillarySqualane70.667.Tourres, 1967, 2H2; Column length: 100. m; Column diameter: 0.25 mm
PackedSqualane100.668.Evans, 1966Untreated celite; Column length: 1.8 m
PackedSqualane22.666.Evans, 1966Untreated celite; Column length: 1.8 m
PackedSqualane30.666.Evans, 1966Untreated celite; Column length: 1.8 m
PackedSqualane40.666.Evans, 1966Untreated celite; Column length: 1.8 m
PackedSqualane55.667.Evans, 1966Untreated celite; Column length: 1.8 m
PackedSqualane60.667.Evans, 1966Untreated celite; Column length: 1.8 m
PackedSqualane70.668.Evans, 1966Untreated celite; Column length: 1.8 m
PackedSqualane80.667.Evans, 1966Untreated celite; Column length: 1.8 m

Kovats' RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillarySE-54659.Rembold, Wallner, et al., 198930. m/0.25 mm/0.25 μm, He, 0. C @ 12. min, 12. K/min; Tend: 250. C
CapillaryOV-101659.Hayes and Pitzer, 1982110. m/0.25 mm/0.20 μm, He, 1. K/min; Tstart: 35. C; Tend: 200. C
CapillaryApiezon L658.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-100667.6Haagen-Smit Laboratory, 1997He; Column length: 100. m; Column diameter: 0.2 mm; Program: 5C(10min) => 5C/min => 50C(48min) => 1.5C/min => 195C(91min)
CapillaryDB-1671.Hoekman, 199360. m/0.32 mm/1.0 μm, He; Program: -40 C for 12 min; -40 - 125 C at 3 deg.min; 125-185 C at 6 deg/min; 185 - 220 C at 20 deg/min; hold 220 C for 2 min

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

View large format table.

Column type Active phase I Reference Comment
CapillaryPetrocol DH664.8Censullo, Jones, et al., 200350. m/0.25 mm/0.5 μm, He, 35. C @ 10. min, 3. K/min, 200. C @ 10. min
CapillarySPB-1656.80LECO Corporation, 200330. m/0.25 mm/0.25 μm, 40. C @ 2. min, 10. K/min, 250. C @ 2. min
CapillarySPB-1657.59LECO Corporation, 200330. m/0.25 mm/0.25 μm, 40. C @ 2. min, 10. K/min, 250. C @ 2. min
CapillaryDB-5663.6Xu, van Stee, et al., 200330. m/0.25 mm/1. μm, He, 2.5 K/min; Tstart: 50. C; Tend: 200. C
CapillaryOV-101662.9Yin, Liu, et al., 2001N2, 1. K/min; Column length: 80. m; Column diameter: 0.22 mm; Tstart: 30. C; Tend: 130. C
CapillaryPONA656.9Martos, Saraullo, et al., 199750. m/0.2 mm/0.5 μm, 35. C @ 0.5 min, 1. K/min, 220. C @ 8. min
CapillaryPONA659.6Martos, Saraullo, et al., 199750. m/0.2 mm/0.5 μm, 35. C @ 0.5 min, 1. K/min, 220. C @ 8. min
CapillaryPetrocol DH660.46Subramaniam, Bochniak, et al., 1994100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C
CapillaryPetrocol DH660.54Subramaniam, Bochniak, et al., 1994100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C
CapillaryUltra-1667.Olson, Sinkevitch, et al., 19924. K/min; Tstart: -40. C; Tend: 230. C
CapillaryPetrocol DH661.02White, Douglas, et al., 1992100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C
CapillaryPetrocol DH661.15White, Douglas, et al., 1992100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C
CapillaryPetrocol DH661.White, Hackett, et al., 1992100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C
CapillaryHP-1667.4Bangjie, Xijian, et al., 1987N2, 10. K/min; Column length: 25. m; Column diameter: 0.2 mm; Tstart: 30. C
CapillaryHP-1667.7Bangjie, Xijian, et al., 1987N2, 2. K/min; Column length: 25. m; Column diameter: 0.2 mm; Tstart: 30. C
CapillaryHP-1667.4Bangjie, Xijian, et al., 1987N2, 30. C @ 5. min, 5. K/min; Column length: 25. m; Column diameter: 0.2 mm
CapillaryOV-101659.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
CapillaryMethyl Silicone658.98Hassoun, Pilling, et al., 199950. m/0.25 mm/1. μm, He; Program: -50C(2min) => 49.9C/min => 35C(10min) => 3C/min => 200C(2min) => 40C/min => 240C(30min)
CapillaryOV-101663.Wu and Lu, 1984Program: not specified

Normal alkane RI, non-polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
CapillaryOV-10140.667.Li and Deng, 1998N2; Column length: 51. m; Column diameter: 0.25 mm
CapillaryMethyl Silicone50.664.N/AN2; Column length: 74.6 m; Column diameter: 0.28 mm
CapillaryOV-10150.667.Wu and Lu, 1984, 2 
CapillaryOV-10170.667.Wu and Lu, 1984, 2 
CapillarySqualane100.668.Dimov N., 1976 
CapillarySqualane70.667.Dimov N., 1976 
CapillarySqualane86.657.Vigdergauz and Martynov, 1971He; Column length: 150. m; Column diameter: 0.35 mm
CapillaryApiezon L40. to 190.667.Mann, Mühlstädt, et al., 1967Column length: 2. m
PackedMethyl Silicone50.654.Huguet, 1961Nitrogen, Celite C-22; Column length: 2.5 m

Normal alkane RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryPolydimethyl siloxane: CP-Sil 5 CB668.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
CapillaryOV-1662.5Krkosova, Kubinec, et al., 2007100. m/0.32 mm/0.25 μm, Helium, 5. K/min, 310. C @ 5. min; Tstart: 30. C
CapillaryDB-5662.Morteza-Semnani, Saeedi, et al., 200630. m/0.25 mm/0.25 μm, He, 60. C @ 4. min, 4. K/min; Tend: 260. C
CapillaryDB-5662.Morteza-Semnani K., Saeedi M., et al., 200630. m/0.25 mm/0.25 μm, He, 60. C @ 5. min, 4. K/min; Tend: 220. C
CapillaryBP-1664.Health Safety Executive, 200050. m/0.22 mm/0.75 μm, He, 5. K/min; Tstart: 50. C; Tend: 200. C
CapillarySE-54663.Guan, Li, et al., 199560. C @ 2. min, 4. K/min; Column length: 50. m; Column diameter: 0.32 mm; Tend: 200. C
CapillaryDB-1667.Ciccioli, Cecinato, et al., 199260. m/0.32 mm/1.2 μm, He, 30. C @ 10. min, 3. K/min; Tend: 240. C

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

View large format table.

Column type Active phase I Reference Comment
CapillaryMethyl Silicone667.Chen and Feng, 2007Program: not specified
CapillaryMethyl Silicone667.Feng and Mu, 2007Program: not specified
CapillaryMethyl Silicone669.Blunden, Aneja, et al., 200560. m/0.32 mm/1.0 μm, Helium; Program: -50 0C (2 min) 8 0C/min -> 200 0C (7.75 min) 25 0C -> 225 0C (8 min)
CapillaryOV-101667.Du and Liang, 2003Program: not specified
CapillaryPolydimethyl siloxane667.Junkes, Castanho, et al., 2003Program: not specified
CapillaryBP-1658.18Cooke, Hassoun, et al., 200150. m/0.25 mm/1. μm, He; Program: -50C => 49.9C/min => 5C(3min) => 3C/min => 50C => 5C/min => 220C(20 min)
CapillaryPolydimethyl siloxanes663.Yin, Guo, et al., 2001Program: not specified
CapillaryMethyl Silicone666.Zenkevich and Marinichev, 2001Program: not specified
CapillaryMethyl Silicone666.Spieksma, 1999Program: not specified
CapillaryMethyl Silicone667.Zenkevich, 1999Program: not specified
CapillarySE-54667.Zhu and He, 1999Program: not specified
CapillarySE-54667.Zhu and He, 1999Program: not specified
CapillaryDB-1662.Ciccioli, Cecinato, et al., 199460. m/0.32 mm/0.25 μm; Program: not specified
CapillaryDB-1662.Ciccioli, Brancaleoni, et al., 199360. m/0.32 mm/0.25 μm; Program: 3 min at 5 C; 5 - 50 C at 3 deg/min; 50 - 220 C at 5 deg/min
CapillaryOV-101667.Skrbic and Cvejanov, 1993Program: not specified
CapillarySqualane658.Petrov, 1984Program: not specified
CapillaryOV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.659.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified
CapillaryOV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.667.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified
PackedSE-30676.Robinson and Odell, 1971N2, Chromosorb W; Column length: 6.1 m; Program: 50C910min) => 20C/min => 90(6min) => 10C/min => 150C(hold)
PackedSqualane674.Robinson and Odell, 1971N2, Embacel; Column length: 3.0 m; Program: 25C(5min) => 2C/min => 35 => 4C/min => 95C(hold)
PackedSE-30676.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)
PackedSqualane674.Robinson and Odell, 1971, 2Embacel; Column length: 3.0 m; Program: 25C(5min) => 2C/min(5min) => 4C/min(15min) => (hold at 95C)

Normal alkane RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillarySupelcowax-10650.Girard and Durance, 200060. m/0.25 mm/0.25 μm, He, 35. C @ 10. min, 4. K/min; Tend: 200. C

References

Go To: Top, Gas phase thermochemistry 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.

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]

Chen, Liang, et al., 2001
Chen, J.P.; Liang, X.M.; Zhang, Q.; Zhang, L.F., Prediction of GC retention values under various column temperature conditions from temperature programmed data, Chromatographia, 2001, 53, 9/10, 539-547, https://doi.org/10.1007/BF02491619 . [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]

Zhang and Lu, 1996
Zhang, X.; Lu, P., Unified equation between Kováts indices on different stationary phases for select types of compounds, J. Chromatogr. A, 1996, 731, 1-2, 187-199, https://doi.org/10.1016/0021-9673(95)01213-3 . [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]

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Notes

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