Pentane, 2-methyl-

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, 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
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow

Quantity Value Units Method Reference Comment
Δfgas-41.66 ± 0.25kcal/molCcbProsen and Rossini, 1945ALS
Quantity Value Units Method Reference Comment
Δcgas-993.71 ± 0.23kcal/molCcbProsen and Rossini, 1945Corresponding Δfgas = -48.80 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
24.221200.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 better agreement with experimental data than the statistical thermodynamics calculation [ Pitzer K.S., 1946] (see also [ Waddington G., 1949]).; GT
31.520273.15
33.99 ± 0.05298.15
34.180300.
43.860400.
52.541500.
60.000600.
66.300700.
71.800800.
76.501900.
80.6001000.
84.0991100.
87.1991200.
90.0001300.
93.0001400.
95.0001500.

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
36.771325.10Waddington G., 1949GT
40.301362.15
44.080402.25
47.139436.20
50.160471.15

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, 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
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Δfliquid-48.82 ± 0.25kcal/molCcbProsen and Rossini, 1945ALS
Quantity Value Units Method Reference Comment
liquid69.450cal/mol*KN/ADouslin and Huffman, 1946DH
liquid69.91cal/mol*KN/AStull, 1937Extrapolation below 90 K, 103.72 J/mol*K.; DH

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
46.413298.15Ohnishi, Fujihara, et al., 1989DH
46.358298.15Benson and D'Arcy, 1986DH
46.348298.15Benson, D'Arcy, et al., 1984DH
46.329298.15Aicart, Kumaran, et al., 1983DH
46.329298.15Benson, D'Arcy, et al., 1983DH
46.30298.15Douslin and Huffman, 1946T = 13 to 300 K.; DH
47.431298.1Stull, 1937T = 90 to 320 K.; DH

Phase change data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, 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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
BS - Robert L. Brown and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tboil334. ± 1.KAVGN/AAverage of 71 out of 73 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus120. ± 7.KAVGN/AAverage of 21 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple119.55KN/ADouslin and Huffman, 1946, 2Uncertainty assigned by TRC = 0.07 K; TRC
Ttriple119.55KN/AHuffman, 1945Uncertainty assigned by TRC = 0.03 K; based on To = 273.16 K; TRC
Ttriple119.7KN/AStull, 1937, 2Uncertainty assigned by TRC = 0.1 K; measured by Wojciechowski; TRC
Quantity Value Units Method Reference Comment
Tc497.8 ± 0.4KAVGN/AAverage of 10 values; Individual data points
Quantity Value Units Method Reference Comment
Pc29.95 ± 0.07atmAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
Vc0.368l/molN/ADaubert, 1996 
Quantity Value Units Method Reference Comment
ρc2.72 ± 0.02mol/lN/ADaubert, 1996 
ρc2.734mol/lN/AHolcomb, Magee, et al., 1995Uncertainty assigned by TRC = 0.05 mol/l; TRC
ρc2.72mol/lN/AGenco, Teja, et al., 1980Uncertainty assigned by TRC = 0.06 mol/l; TRC
ρc2.73mol/lN/AKay, 1946Uncertainty assigned by TRC = 0.02 mol/l; by extrapolation of rectilinear diameter to Tc; TRC
Quantity Value Units Method Reference Comment
Δvap7.0 ± 0.9kcal/molAVGN/AAverage of 6 values; Individual data points

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
6.642333.4N/AMajer and Svoboda, 1985 
7.22305.N/ASapei, Uusi-Kyyny, et al., 2010Based on data from 290. to 333. K.; AC
7.17316.N/APokki, Uusi-Kyyny, et al., 2002Based on data from 301. to 333. K.; AC
7.10325.N/AAucejo, Loras, et al., 1998Based on data from 310. to 359. K.; AC
7.29308.AStephenson and Malanowski, 1987Based on data from 293. to 335. K.; AC
6.86 ± 0.02318.CWaddington, Smith, et al., 1949AC
6.64 ± 0.02333.CWaddington, Smith, et al., 1949AC
7.27301.MMWillingham, Taylor, et al., 1945Based on data from 286. to 334. K.; AC
7.12 ± 0.05293.CLemons and Felsing, 1943AC
6.93 ± 0.05313.CLemons and Felsing, 1943AC
6.60 ± 0.05333.CLemons and Felsing, 1943AC
6.43 ± 0.05353.CLemons and Felsing, 1943AC

Enthalpy of vaporization

ΔvapH = A exp(-βTr) (1 − Tr)β
    ΔvapH = Enthalpy of vaporization (at saturation pressure) (kcal/mol)
    Tr = reduced temperature (T / Tc)

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Temperature (K) A (kcal/mol) β Tc (K) Reference Comment
298. to 333.10.820.2739497.5Majer and Svoboda, 1985 

Antoine Equation Parameters

log10(P) = A − (B / (T + C))
    P = vapor pressure (atm)
    T = temperature (K)

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Temperature (K) A B C Reference
285.91 to 334.223.95831135.41-46.578Williamham, Taylor, et al., 1945

Enthalpy of fusion

ΔfusH (kcal/mol) Temperature (K) Reference Comment
1.498119.55Douslin and Huffman, 1946DH
1.50119.6Domalski and Hearing, 1996AC

Entropy of fusion

ΔfusS (cal/mol*K) Temperature (K) Reference Comment
12.53119.55Douslin and Huffman, 1946DH

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

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References, Notes

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

Data compiled by: 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

Hydrogen + 1-Pentene, 2-methyl- = Pentane, 2-methyl-

By formula: H2 + C6H12 = C6H14

Quantity Value Units Method Reference Comment
Δr-27.80 ± 0.10kcal/molChydRogers, Crooks, et al., 1987liquid phase
Δr-27.63 ± 0.52kcal/molChydMolnar, Rachford, et al., 1984liquid phase; solvent: Dioxane

Hydrogen + 2-Pentene, 4-methyl-, (Z)- = Pentane, 2-methyl-

By formula: H2 + C6H12 = C6H14

Quantity Value Units Method Reference Comment
Δr-27.94 ± 0.091kcal/molChydRogers, Crooks, et al., 1987liquid phase
Δr-27.3kcal/molChydTurner, Nettleton, et al., 1958liquid phase; solvent: Acetic acid

Hydrogen + 2-Pentene, 4-methyl-, (E)- = Pentane, 2-methyl-

By formula: H2 + C6H12 = C6H14

Quantity Value Units Method Reference Comment
Δr-27.29 ± 0.14kcal/molChydRogers, Crooks, et al., 1987liquid phase
Δr-26.4kcal/molChydTurner, Nettleton, et al., 1958liquid phase; solvent: Acetic acid

2Hydrogen + cis-2-Methyl-1-vinylcyclopropane = Pentane, 2-methyl-

By formula: 2H2 + C6H10 = C6H14

Quantity Value Units Method Reference Comment
Δr-64.5 ± 0.1kcal/molChydRoth, Kirmse, et al., 1982liquid phase; solvent: Isooctane

n-Hexane = Pentane, 2-methyl-

By formula: C6H14 = C6H14

Quantity Value Units Method Reference Comment
Δr-1.30 ± 0.21kcal/molCisoProsen and Rossini, 1941liquid phase; Calculated from ΔHc

Hydrogen + 1-Pentene, 4-methyl- = Pentane, 2-methyl-

By formula: H2 + C6H12 = C6H14

Quantity Value Units Method Reference Comment
Δr-30.28 ± 0.10kcal/molChydRogers, Crooks, et al., 1987liquid phase

Hydrogen + 2-Pentene, 2-methyl- = Pentane, 2-methyl-

By formula: H2 + C6H12 = C6H14

Quantity Value Units Method Reference Comment
Δr-26.67 ± 0.18kcal/molChydRogers, Crooks, et al., 1987liquid phase

Pentane, 2-methyl- = Pentane, 3-methyl-

By formula: C6H14 = C6H14

Quantity Value Units Method Reference Comment
Δr0.22 ± 0.11kcal/molEqkRoganov, Kabo, et al., 1972gas phase; At 368 K

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, 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:
LL - Sharon G. Lias and Joel F. Liebman
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Ionization energy determinations

IE (eV) Method Reference Comment
10.04ESTLuo and Pacey, 1992LL
9.89 ± 0.15EQMautner(Meot-Ner), Sieck, et al., 1981LLK
10.12PIWatanabe, Nakayama, et al., 1962RDSH

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C3H6+10.91 ± 0.05C3H8PISteiner, Giese, et al., 1961RDSH
C3H7+~11.35 ± 0.10C3H7PISteiner, Giese, et al., 1961RDSH
C4H8+10.65 ± 0.015C2H6PISteiner, Giese, et al., 1961RDSH
C4H9+10.73 ± 0.02C2H5PISteiner, Giese, et al., 1961RDSH
C5H10+10.835 ± 0.025CH4PISteiner, Giese, et al., 1961RDSH
C5H11+10.865 ± 0.085CH3PISteiner, Giese, et al., 1961RDSH

IR Spectrum

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

Data compiled by: Coblentz Society, Inc.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director


Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, 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.
NIST MS number 19377

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Gas Chromatography

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, 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-10140.569.3Chen, Liang, et al., 2001He; Column length: 50. m; Column diameter: 0.25 mm
CapillaryOV-10160.569.4Chen, Liang, et al., 2001He; Column length: 50. m; Column diameter: 0.25 mm
CapillarySqualane100.570.Heinzen, Soares, et al., 1999 
CapillaryOV-1010.568.Skrbic, 1997 
PackedSqualane78.5570.7Zhang and Lu, 1996 
CapillaryCP Sil 260.568.0Estel, Mohnke, et al., 1995100. m/0.25 mm/0.25 μm
CapillaryOV-101150.573.6Cha and Lee, 1994Column length: 20. m; Column diameter: 0.5 mm
CapillaryOV-101180.575.7Cha and Lee, 1994Column length: 20. m; Column diameter: 0.5 mm
CapillarySqualane25.569.Hilal, Carreira, et al., 1994 
CapillaryDB-160.569.8Krupcik, Skacani, et al., 1994H2; Phase thickness: 0.25 μm
CapillaryPONA60.569.7Krupcik, Skacani, et al., 1994H2; Phase thickness: 0.5 μm
CapillaryPONA60.569.8Krupcik, Skacani, et al., 1994H2; Phase thickness: 0.5 μm
CapillaryDB-160.569.7Krupcik, Skacani, et al., 1994H2; Phase thickness: 1. μm
CapillaryOV-10160.568.4Krupcik, Skacani, et al., 1994H2; Phase thickness: 0.2 μm
CapillaryHP-160.570.Bangjie, Yijian, et al., 1988N2; Column length: 25. m; Column diameter: 0.20 mm
CapillaryHP-160.570.Bangjie, Yijian, et al., 1988N2; Column length: 25. m; Column diameter: 0.20 mm
CapillaryOV-10140.567.Laub and Purnell, 1988 
CapillaryOV-10160.568.Laub and Purnell, 1988 
CapillaryOV-10180.568.Laub and Purnell, 1988 
CapillarySqualane50.569.7Lunskii and Paizanskaya, 1988He; Column length: 50. m; Column diameter: 0.22 mm
CapillarySqualane70.569.6Lunskii and Paizanskaya, 1988He; Column length: 50. m; Column diameter: 0.22 mm
CapillarySqualane50.569.7Papazova, Milina, et al., 1988Column length: 50. m; Column diameter: 0.25 mm
CapillaryOV-10140.569.2Boneva and Dimov, 1986100. m/0.27 mm/0.9 μm
CapillaryOV-10150.569.3Boneva and Dimov, 1986100. m/0.27 mm/0.9 μm
CapillaryOV-10160.569.4Boneva and Dimov, 1986100. m/0.27 mm/0.9 μm
CapillaryOV-10170.569.9Boneva and Dimov, 1986100. m/0.27 mm/0.9 μm
CapillaryOV-10130.569.Chien, Furio, et al., 1983 
CapillaryOV-10140.569.Chien, Furio, et al., 1983 
CapillaryOV-10150.569.Chien, Furio, et al., 1983 
CapillaryOV-10160.569.Chien, Furio, et al., 1983 
CapillaryOV-10170.569.Chien, Furio, et al., 1983 
CapillaryOV-10180.569.Chien, Furio, et al., 1983 
CapillaryDB-160.569.8Lubeck and Sutton, 1983Column length: 60. m; Column diameter: 0.264 mm
CapillaryDB-160.569.7Lubeck and Sutton, 198360. m/0.259 mm/1. μm
CapillaryOV-150.569.Anders, Scheller, et al., 1982Column length: 55. m; Column diameter: 0.21 mm
CapillaryOV-10150.570.Johansen and Ettre, 1982100. m/0.27 mm/0.20 μm
CapillaryOV-10150.570.Johansen and Ettre, 198255. m/0.27 mm/0.9 μm
CapillarySF-9650.568.Johansen and Ettre, 198291.4 m/0.31 mm/0.20 μm
CapillaryOV-140.560.Nijs and Jacobs, 1981He; Column length: 150. m; Column diameter: 0.50 mm
PackedSqualane100.575.Nabivach and Kirilenko, 1980He, Chromaton N-AW-HMDS; Column length: 1. m
CapillarySqualane50.569.8Bajus, Veselý, et al., 1979Column length: 100. m; Column diameter: 0.25 mm
PackedTriacontane70.569.Castello and D'Amato, 1979He, Chromosorb W AW (60-80 mesh); Column length: 3. m
PackedTriacontane80.570.Castello and D'Amato, 1979He, Chromosorb W AW (60-80 mesh); Column length: 3. m
PackedSqualane70.570.Castello and D'Amato, 1979He, Chromosorb W AW (60-80 mesh); Column length: 3. m
PackedSqualane80.570.Castello and D'Amato, 1979He, Chromosorb W AW (60-80 mesh); Column length: 3. m
PackedOV-180.571.Dimov and Papazova, 1979Chromosorb W AW DMCS (80-100 mesh); Column length: 4. m
PackedSE-3080.569.Dimov and Papazova, 1979Chromosorb W AW DMCS (80-100 mesh); Column length: 4. m
CapillarySqualane60.570.Chretien and Dubois, 1976 
CapillarySqualane100.570.9Lulova, Leont'eva, et al., 1976He; Column length: 120. m; Column diameter: 0.25 mm
CapillarySqualane100.569.1Lulova, Leont'eva, et al., 1976He; Column length: 120. m; Column diameter: 0.25 mm
PackedSqualane100.573.Vernon and Edwards, 1975N2, DCMS-treated Celite; Column length: 1. m
CapillarySqualane50.570.Rijks and Cramers, 1974N2; Column length: 100. m; Column diameter: 0.25 mm
CapillarySqualane70.570.Rijks and Cramers, 1974N2; Column length: 100. m; Column diameter: 0.25 mm
PackedSF-96100.571.04Castello, Berg, et al., 1973Chromosorb P(DMCS); Column length: 4. m
PackedSF-96110.571.13Castello, Berg, et al., 1973Chromosorb P(DMCS); Column length: 4. m
PackedSF-96120.570.85Castello, Berg, et al., 1973Chromosorb P(DMCS); Column length: 4. m
PackedSF-9680.570.12Castello, Berg, et al., 1973Chromosorb P(DMCS); Column length: 4. m
PackedSF-9690.570.28Castello, Berg, et al., 1973Chromosorb P(DMCS); Column length: 4. m
CapillaryOV-10150.570.Pacáková, Hoch, et al., 197325. m/0.25 mm/1.39 μm, N2
CapillaryOV-10160.570.Pacáková, Hoch, et al., 197325. m/0.25 mm/1.39 μm, N2
CapillarySqualane100.571.3Schomburg and Dielmann, 1973Column length: 100. m; Column diameter: 0.25 mm
CapillarySqualane27.569.19Schomburg and Dielmann, 1973Column length: 100. m; Column diameter: 0.25 mm
CapillaryVacuum Grease Oil (VM-4)35.567.Sidorov, Petrova, et al., 1972 
CapillaryVacuum Grease Oil (VM-4)45.568.Sidorov, Petrova, et al., 1972 
CapillaryVacuum Grease Oil (VM-4)50.568.Sidorov, Petrova, et al., 1972 
CapillaryVacuum Grease Oil (VM-4)58.568.Sidorov, Petrova, et al., 1972 
CapillaryVacuum Grease Oil (VM-4)68.569.Sidorov, Petrova, et al., 1972 
CapillarySqualane70.569.7Dimov and Schopov, 1971Column length: 100. m; Column diameter: 0.25 mm
PackedSE-3075.570.Robinson and Odell, 1971N2, Chromosorb W; Column length: 6.1 m
PackedSqualane100.578.Robinson and Odell, 1971N2, Embacel; Column length: 3.0 m
PackedSE-3080.568.Mitra and Saha, 1970N2
PackedSqualane25.570.Mitra and Saha, 1970N2
PackedSqualane80.570.Mitra and Saha, 1970N2
CapillarySqualane40.573.Matukuma, 1969N2; Column length: 91.4 m; Column diameter: 0.25 mm
PackedSqualane27.569.Hively and Hinton, 1968He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
PackedSqualane49.570.Hively and Hinton, 1968He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
PackedSqualane67.570.Hively and Hinton, 1968He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
PackedSqualane30.569.Tourres, 1967H2; Column length: 10. m
PackedSqualane50.569.5Tourres, 1967H2; Column length: 10. m
CapillarySqualane30.569.Tourres, 1967, 2H2; Column length: 100. m; Column diameter: 0.25 mm
CapillarySqualane50.570.Tourres, 1967, 2H2; Column length: 100. m; Column diameter: 0.25 mm
CapillarySqualane70.570.Tourres, 1967, 2H2; Column length: 100. m; Column diameter: 0.25 mm
PackedSE-3070.577.Widmer, 1967Diatoport S; Column length: 7.9 m
PackedSqualane100.571.Evans, 1966Untreated celite; Column length: 1.8 m
PackedSqualane22.569.Evans, 1966Untreated celite; Column length: 1.8 m
PackedSqualane30.569.Evans, 1966Untreated celite; Column length: 1.8 m
PackedSqualane40.570.Evans, 1966Untreated celite; Column length: 1.8 m
PackedSqualane55.570.Evans, 1966Untreated celite; Column length: 1.8 m
PackedSqualane60.570.Evans, 1966Untreated celite; Column length: 1.8 m
PackedSqualane70.569.Evans, 1966Untreated celite; Column length: 1.8 m
PackedSqualane80.570.Evans, 1966Untreated celite; Column length: 1.8 m
PackedSqualane26.571.Zulaïca and Guiochon, 1966Column length: 10. m
PackedApiezon L130.571.Wehrli and Kováts, 1959Celite; Column length: 2.25 m
PackedApiezon L70.570.Wehrli and Kováts, 1959Celite; Column length: 2.25 m

Kovats' RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryOV-101562.Hayes and Pitzer, 1982110. m/0.25 mm/0.20 μm, He, 1. K/min; Tstart: 35. C; Tend: 200. C
CapillaryApiezon L562.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-100573.5Haagen-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-1572.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

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Column type Active phase I Reference Comment
CapillarySPB-5559.Engel and Ratel, 200760. m/0.32 mm/1. μm, 40. C @ 2. min, 3. K/min, 230. C @ 10. min
Capillary5 % Phenyl methyl siloxane569.Estevez, Ventanas, et al., 200530. m/0.25 mm/1. μm, He, 40. C @ 10. min, 7. K/min, 250. C @ 5. min
CapillaryHP-5565.Insausti, Goñi, et al., 200550. m/0.32 mm/1.05 μm, He, 35. C @ 15. min, 8. K/min, 220. C @ 5. min
CapillaryPetrocol DH559.4Censullo, Jones, et al., 200350. m/0.25 mm/0.5 μm, He, 35. C @ 10. min, 3. K/min, 200. C @ 10. min
CapillarySPB-1552.89LECO Corporation, 200330. m/0.25 mm/0.25 μm, 40. C @ 2. min, 10. K/min, 250. C @ 2. min
CapillarySPB-1553.55LECO Corporation, 200330. m/0.25 mm/0.25 μm, 40. C @ 2. min, 10. K/min, 250. C @ 2. min
CapillaryOV-101562.0Yin, Liu, et al., 2001N2, 1. K/min; Column length: 80. m; Column diameter: 0.22 mm; Tstart: 30. C; Tend: 130. C
CapillaryPONA571.1Martos, Saraullo, et al., 199750. m/0.2 mm/0.5 μm, 35. C @ 0.5 min, 1. K/min, 220. C @ 8. min
CapillaryPONA576.8Martos, Saraullo, et al., 199750. m/0.2 mm/0.5 μm, 35. C @ 0.5 min, 1. K/min, 220. C @ 8. min
CapillaryPetrocol DH560.09Subramaniam, Bochniak, et al., 1994100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C
CapillaryPetrocol DH560.10Subramaniam, Bochniak, et al., 1994100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C
CapillaryUltra-1567.Olson, Sinkevitch, et al., 19924. K/min; Tstart: -40. C; Tend: 230. C
CapillaryPetrocol DH560.46White, Douglas, et al., 1992100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C
CapillaryPetrocol DH560.52White, Douglas, et al., 1992100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C
CapillaryPetrocol DH560.White, Hackett, et al., 1992100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C
CapillaryHP-1569.6Bangjie, Xijian, et al., 1987N2, 10. K/min; Column length: 25. m; Column diameter: 0.2 mm; Tstart: 30. C
CapillaryHP-1569.4Bangjie, Xijian, et al., 1987N2, 2. K/min; Column length: 25. m; Column diameter: 0.2 mm; Tstart: 30. C
CapillaryHP-1569.5Bangjie, Xijian, et al., 1987N2, 30. C @ 5. min, 5. K/min; Column length: 25. m; Column diameter: 0.2 mm
CapillaryOV-101562.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
PackedSE-30560.Peng, Ding, et al., 1988Supelcoport; Chromosorb; Column length: 3.05 m; Program: 40C(5min) => 10C/min => 200C or 250C (60min)
CapillaryOV-101562.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-10140.569.Li and Deng, 1998N2; Column length: 51. m; Column diameter: 0.25 mm
CapillaryMethyl Silicone50.570.N/AN2; Column length: 74.6 m; Column diameter: 0.28 mm
CapillaryOV-10150.569.Wu and Lu, 1984, 2 
CapillaryOV-10170.569.Wu and Lu, 1984, 2 
CapillarySqualane100.571.Dimov N., 1976 
CapillarySqualane70.570.Dimov N., 1976 
CapillarySqualane86.560.Vigdergauz and Martynov, 1971He; Column length: 150. m; Column diameter: 0.35 mm
CapillaryApiezon L40. to 190.570.Mann, Mühlstädt, et al., 1967Column length: 2. m
CapillarySqualane70.579.Schomburg, 1966 
PackedMethyl Silicone50.568.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 CB568.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 DH570.Supelco, 2012100. m/0.25 mm/0.50 μm, Helium, 20. C @ 15. min, 15. K/min, 220. C @ 30. min
CapillaryVF-5 MS555.Leffingwell and Alford, 201160. m/0.32 mm/0.25 μm, Helium, 2. K/min, 260. C @ 28. min; Tstart: 30. C
CapillaryVF-5 MS559.Leffingwell and Alford, 201160. m/0.32 mm/0.25 μm, Helium, 2. K/min, 260. C @ 28. min; Tstart: 30. C
CapillaryPONA561.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-1561.3Krkosova, Kubinec, et al., 2007100. m/0.32 mm/0.25 μm, Helium, 5. K/min, 310. C @ 5. min; Tstart: 30. C
Capillary5 % Phenyl methyl siloxane556.Ramirez R. and Cava R., 200730. m/0.25 mm/1. μm, He, 40. C @ 10. min, 7. K/min, 250. C @ 5. min
Capillary5 % Phenyl methyl siloxane560.Ramirez R. and Cava R., 200730. m/0.25 mm/1. μm, He, 40. C @ 10. min, 7. K/min, 250. C @ 5. min
CapillaryHP-5559.6Leffingwell and Alford, 200560. m/0.32 mm/0.25 μm, He, 30. C @ 2. min, 2. K/min, 260. C @ 28. min
Capillary5 % Phenyl methyl siloxane573.Ramírez, Estévez, et al., 20040. m/0.25 mm/1. μm, He, 40. C @ 10. min, 7. K/min, 250. C @ 5. min
CapillarySE-54574.Bellesia, Pinetti, et al., 200125. m/0.20 mm/0.50 μm, He, 35. C @ 2. min, 5. K/min; Tend: 250. C
CapillaryBP-1563.Health Safety Executive, 200050. m/0.22 mm/0.75 μm, He, 5. K/min; Tstart: 50. C; Tend: 200. C
CapillaryMethyl Silicone559.97Baraldi, Rapparini, et al., 199960. m/0.25 mm/0.25 μm, 40. C @ 10. min, 5. K/min; Tend: 220. C
CapillaryOV-101571.Orav, Kailas, et al., 199950. m/0.20 mm/0.50 μm, Helium, 30. C @ 6. min, 1. K/min; Tend: 100. C
CapillarySE-54562.Guan, Li, et al., 199560. C @ 2. min, 4. K/min; Column length: 50. m; Column diameter: 0.32 mm; Tend: 200. C
CapillaryDB-1564.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
CapillaryHP-5559.Rotsatschakul, Visesanguan, et al., 200960. m/0.25 mm/0.25 μm, Helium; Program: 30 0C (2 min) 2 0Cmin -> 60 0C 10 0C/min -> 100 0C 20 0C/min -> 140 0C 10 0C/min -> 200 0C (10 min)
CapillaryNonpolar560.Staples and Zeiger, 2008Program: not specified
CapillaryMethyl Silicone570.Feng and Mu, 2007Program: not specified
CapillaryMethyl Silicone570.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)
CapillaryHP-5558.Garcia-Estaban, Ansorena, et al., 200450. m/0.32 mm/1.05 μm; Program: 40C(10min) => 5C/min => 200C => 20C/min => 250C(5min)
CapillaryDB-5558.Garcia-Estaban, Ansorena, et al., 2004, 250. m/0.32 mm/1.05 μm; Program: 40C(10min) => 5C/min => 200C => 20C/min => 250C (5min)
CapillaryOV-101570.Du and Liang, 2003Program: not specified
CapillaryPolydimethyl siloxane570.Junkes, Castanho, et al., 2003Program: not specified
CapillaryPONA573.Perkin Elmer Instruments, 2002Column length: 100. m; Phase thickness: 0.50 μm; Program: not specified
CapillaryMethyl Silicone571.N/AProgram: not specified
CapillaryPolydimethyl siloxanes562.Yin, Guo, et al., 2001Program: not specified
CapillaryDB-1570.Zhu and Wang, 2001Program: not specified
CapillaryMethyl Silicone571.Spieksma, 1999Program: not specified
CapillarySPB-1566.Flanagan, Streete, et al., 199760. m/0.53 mm/5. μm, He; Program: 40C(6min) => 5C/min => 80C => 10C/min => 200C
CapillaryDB-5559.Mateo and Zumalacárregui, 199650. m/0.32 mm/0.25 μm, He; Program: 40C (10min) => 3C/min => 95C => 10C/min => 270C (10min)
CapillaryDB-5560.Mateo and Zumalacárregui, 199650. m/0.32 mm/0.25 μm, He; Program: 40C (10min) => 3C/min => 95C => 10C/min => 270C (10min)
CapillaryDB-1560.Ciccioli, Cecinato, et al., 199460. m/0.32 mm/0.25 μm; Program: not specified
CapillaryDB-1560.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-101568.Skrbic and Cvejanov, 1993Program: not specified
CapillarySPB-1566.Strete, Ruprah, et al., 199260. m/0.53 mm/5.0 μm, Helium; Program: 40 0C (6 min) 5 0C/min -> 80 0C 10 0C/min -> 200 0C
CapillarySPB-1610.Strete, Ruprah, et al., 199260. m/0.53 mm/5.0 μm, Helium; Program: not specified
CapillaryDB-1556.Takeoka, Flath, et al., 198830. m/0.25 mm/0.25 μm, H2; Program: 30C (2min) => 2C/min => 150C => 4C/min => 250C
CapillaryDB-1560.Takeoka, Flath, et al., 198830. m/0.25 mm/0.25 μm, H2; Program: 30C (2min) => 2C/min => 150C => 4C/min => 250C
CapillarySE-52566.van Langenhove and Schamp, 1986Column length: 100. m; Column diameter: 0.50 mm; Program: not specified
CapillarySqualane560.Petrov, 1984Program: not specified
CapillaryOV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.562.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified
PackedApieson L560.Kojima, Fujii, et al., 1980Chromosorb W; Column length: 20. m; Program: not specified
PackedSE-30576.Robinson and Odell, 1971N2, Chromosorb W; Column length: 6.1 m; Program: 50C910min) => 20C/min => 90(6min) => 10C/min => 150C(hold)
PackedSqualane569.Robinson and Odell, 1971N2, Embacel; Column length: 3.0 m; Program: 25C(5min) => 2C/min => 35 => 4C/min => 95C(hold)
PackedSE-30576.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)
PackedSqualane569.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, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, 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]

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]

Pitzer K.S., 1946
Pitzer K.S., The entropies and related properties of branched paraffin hydrocarbons, Chem. Rev., 1946, 39, 435-447. [all data]

Waddington G., 1949
Waddington G., Experimental vapor heat capacities and heats of vaporization of 2-methylpentane, 3-methylpentane, and 2,3-dimethylbutane, J. Am. Chem. Soc., 1949, 71, 3902-3906. [all data]

Douslin and Huffman, 1946
Douslin, D.R.; Huffman, H.M., Low-temperature thermal data on the five isometric hexanes, J. Am. Chem. Soc., 1946, 68, 1704-1708. [all data]

Stull, 1937
Stull, D.R., A semi-micro calorimeter for measuring heat capacities at low temperatures, J. Am. Chem. Soc., 1937, 59, 2726-2733. [all data]

Ohnishi, Fujihara, et al., 1989
Ohnishi, K.; Fujihara, I.; Murakami, S., Thermodynamic properties of decalins mixed with hexane isomers at 298.15K. 1. Excess enthalpies and excess isobaric heat capacities, Fluid Phase Equilib., 1989, 46, 59-72. [all data]

Benson and D'Arcy, 1986
Benson, G.C.; D'Arcy, P.J., Heat capacities of binary mixtures of n-octane with each of the hexane isomers at 298.15 K, Can. J. Chem., 1986, 64, 2139-2141. [all data]

Benson, D'Arcy, et al., 1984
Benson, G.C.; D'Arcy, P.J.; Kumaran, M.K., Heat capacities of binary mixtures of n-heptane with hexane isomers, Thermochim. Acta, 1984, 75, 353-360. [all data]

Aicart, Kumaran, et al., 1983
Aicart, E.; Kumaran, M.K.; Halpin, C.J.; Benson, G.C., Ultrasonic speeds and isentropic compressibilities of 2-methylpentan-1-ol with hexane isomers at 298.15 K, J. Chem. Thermodynam., 1983, 15, 1189-1197. [all data]

Benson, D'Arcy, et al., 1983
Benson, G.C.; D'Arcy, P.J.; Sugamori, M.E., Heat capacities of binary mixtures of 1-hexanol with hexane isomers at 298.15 K, Thermochim. Acta, 1983, 71, 161-166. [all data]

Douslin and Huffman, 1946, 2
Douslin, D.R.; Huffman, H.M., Low-Temperature Thermal Data on the Five Isomeric Hexanes, J. Am. Chem. Soc., 1946, 68, 1704. [all data]

Huffman, 1945
Huffman, H.M., Personal Commun., U. S. Bur. Mines, Bartlesville, OK, July 25, 1945. [all data]

Stull, 1937, 2
Stull, D.R., A Semi-micro Calorimeter for Measuring Heat Capacities at Low Temp., J. Am. Chem. Soc., 1937, 59, 2726. [all data]

Daubert, 1996
Daubert, T.E., Vapor-Liquid Critical Properties of Elements and Compounds. 5. Branched Alkanes and Cycloalkanes, J. Chem. Eng. Data, 1996, 41, 365-372. [all data]

Holcomb, Magee, et al., 1995
Holcomb, C.D.; Magee, J.W.; Haynes, W.M., Density Measurements on Natural Gas Liquids, Research Report RR-147, Gas Processors Association Project 916, 1995. [all data]

Genco, Teja, et al., 1980
Genco, J.M.; Teja, A.S.; Kay, W.B., Study of the critical and azeotropic behavior of binary mixtures I critical states of perfluoromethylcyclohexane + isomeric hexane systems, J. Chem. Eng. Data, 1980, 25, 350. [all data]

Kay, 1946
Kay, W.B., The Vapor Pressures and Saturated Liquid and Vapor Densities of the Isomeric Hexanes, J. Am. Chem. Soc., 1946, 68, 1336. [all data]

Majer and Svoboda, 1985
Majer, V.; Svoboda, V., Enthalpies of Vaporization of Organic Compounds: A Critical Review and Data Compilation, Blackwell Scientific Publications, Oxford, 1985, 300. [all data]

Sapei, Uusi-Kyyny, et al., 2010
Sapei, Erlin; Uusi-Kyyny, Petri; Keskinen, Kari I.; Alopaeus, Ville, Phase equilibria of binary systems of 3-methylthiophene with four different hydrocarbons, Fluid Phase Equilibria, 2010, 288, 1-2, 155-160, https://doi.org/10.1016/j.fluid.2009.11.004 . [all data]

Pokki, Uusi-Kyyny, et al., 2002
Pokki, Juha-Pekka; Uusi-Kyyny, Petri; Aittamaa, Juhani; Liukkonen, Simo, Vapor-Liquid Equilibrium for the 2-Methylpentane + 2-Methyl-2-propanol and + 2-Butanol Systems at 329 K, J. Chem. Eng. Data, 2002, 47, 2, 371-375, https://doi.org/10.1021/je0155296 . [all data]

Aucejo, Loras, et al., 1998
Aucejo, Antonio; Loras, Sonia; Muñoz, Rosa; Reich, Ricardo; Segura, Hugo, Isobaric Vapor-Liquid Equilibrium in the Systems 2-Methylpentane + Methyl 1,1-Dimethylethyl Ether, + Ethyl 1,1-Dimethylethyl Ether, and + Methyl 1,1-Dimethylpropyl Ether, J. Chem. Eng. Data, 1998, 43, 6, 973-977, https://doi.org/10.1021/je980090b . [all data]

Stephenson and Malanowski, 1987
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Waddington, Smith, et al., 1949
Waddington, G.; Smith, J.C.; Scott, D.W.; Huffman, H.M., Experimental vapor heat capacities and heats of vaporization of 2-methylpentane, 3-methylpentane and 2,3-dimethylbutane, J. Am. Chem. Soc., 1949, 71, 3902-3906. [all data]

Willingham, Taylor, et al., 1945
Willingham, C.B.; Taylor, W.J.; Pignocco, J.M.; Rossini, F.D., Vapor pressures and boiling points of some paraffin, alkylcyclopentane, alkylcyclohexane, and alkylbenzene hydrocarbons, J. RES. NATL. BUR. STAN., 1945, 35, 3, 219-17, https://doi.org/10.6028/jres.035.009 . [all data]

Lemons and Felsing, 1943
Lemons, Joe Fred; Felsing, W.A., The Heats of Vaporization of Some Hexanes 1, J. Am. Chem. Soc., 1943, 65, 1, 46-48, https://doi.org/10.1021/ja01241a015 . [all data]

Williamham, Taylor, et al., 1945
Williamham, C.B.; Taylor, W.J.; Pignocco, J.M.; Rossini, F.D., Vapor Pressures and Boiling Points of Some Paraffin, Alkylcyclopentane, Alkylcyclohexane, and Alkylbenzene Hydrocarbons, J. Res. Natl. Bur. Stand. (U.S.), 1945, 35, 3, 219-244, https://doi.org/10.6028/jres.035.009 . [all data]

Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D., Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III, J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985 . [all data]

Rogers, Crooks, et al., 1987
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Molnar, Rachford, et al., 1984
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Turner, Nettleton, et al., 1958
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Roth, Kirmse, et al., 1982
Roth, W.R.; Kirmse, W.; Hoffmann, W.; Lennartz, H.W., Heats of hydrogenation. III. Effect of fluoro substituents on the thermal rearrangement of cyclopropane systems, Chem. Ber., 1982, 115, 2508-2515. [all data]

Prosen and Rossini, 1941
Prosen, E.J.R.; Rossini, F.D., Heats of isomerization of the five hexanes, J. Res. NBS, 1941, 27, 289-310. [all data]

Roganov, Kabo, et al., 1972
Roganov, G.N.; Kabo, G.Ya.; Andreevskii, D.N., Thermodynamics of the isomerization of methylpentanes and methylheptanes, Neftekhimiya, 1972, 12, 495-500. [all data]

Luo and Pacey, 1992
Luo, Y.-R.; Pacey, P.D., Effects of alkyl substitution on ionization energies of alkanes and haloalkanes and on heats of formation of their molecular cations. Part 2. Alkanes and chloro-, bromo- and iodoalkanes, Int. J. Mass Spectrom. Ion Processes, 1992, 112, 63. [all data]

Mautner(Meot-Ner), Sieck, et al., 1981
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Watanabe, Nakayama, et al., 1962
Watanabe, K.; Nakayama, T.; Mottl, J., Ionization potentials of some molecules, J. Quant. Spectry. Radiative Transfer, 1962, 2, 369. [all data]

Steiner, Giese, et al., 1961
Steiner, B.; Giese, C.F.; Inghram, M.G., Photoionization of alkanes. Dissociation of excited molecular ions, J. Chem. Phys., 1961, 34, 189. [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]

Cha and Lee, 1994
Cha, K.-W.; Lee, D.-J., Prediction of retention indices of various compounds in gas-liquid chromatography, J. Korean Chem. Soc., 1994, 38, 2, 108-120, retrieved from http://journal.kcsnet.or.kr/publi/dh/dh94n2/108.pdf. [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]

Bangjie, Yijian, et al., 1988
Bangjie, C.; Yijian, G.; Shaoyi, P., Calculation of retention indices at an assigned temperature from temperature programmed data, Chromatographia, 1988, 25, 6, 539-542, https://doi.org/10.1007/BF02324830 . [all data]

Laub and Purnell, 1988
Laub, R.J.; Purnell, J.H., Specific retention volumes, retention indices, and family-plot regressions of aliphatic, alicyclic, and aromatic hydrocarbon solutes with OV-101 poly (dimethylsiloxane) stationary phase, J. Hi. Res. Chromatogr. Chromatogr. Comm., 1988, 11, 9, 649-660, https://doi.org/10.1002/jhrc.1240110908 . [all data]

Lunskii and Paizanskaya, 1988
Lunskii, M.Kh.; Paizanskaya, I.L., Identification of hydrocarbons C1-C9 of petrol fractions of oils and condensates in the use of capillary columns with dinonylphthalate, Zh. Anal. Khim., 1988, 43, 127-135. [all data]

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]

Boneva and Dimov, 1986
Boneva, S.; Dimov, N., Unified retention index of hydrocarbons separated on dimethylsilicone OV-101, Chromatographia, 1986, 21, 12, 697-700, https://doi.org/10.1007/BF02313682 . [all data]

Chien, Furio, et al., 1983
Chien, C.-F.; Furio, D.L.; Kopecni, M.M.; Laub, R.J., Specific Retention Volumes and Retention Indices of Selected Hydrocarbon Solutes with OV-101 and SP-2100 Polydimethylsiloxane Solvents, J. Hi. Res. Chromatogr. Chromatogr. Comm., 1983, 6, 10, 577-580, https://doi.org/10.1002/jhrc.1240061013 . [all data]

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

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]

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Notes

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