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Hexane, 3-methyl-

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, NIST Free Links, 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.

Quantity Value Units Method Reference Comment
Deltafgas-192.3 ± 1.3kJ/molCcbProsen and Rossini, 1945ALS
Deltafgas-192.9kJ/molN/ADavies and Gilbert, 1941Value computed using «DELTA»fHliquid° value of -228.0±1.0 kj/mol from Davies and Gilbert, 1941 and «DELTA»vapH° value of 35.1 kj/mol from Prosen and Rossini, 1945.; DRB

Condensed 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
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Deltafliquid-227.4 ± 1.3kJ/molCcbProsen and Rossini, 1945ALS
Deltafliquid-228. ± 1.kJ/molCcbDavies and Gilbert, 1941ALS
Quantity Value Units Method Reference Comment
Deltacliquid-4813.9 ± 1.2kJ/molCcbProsen and Rossini, 1945Corresponding «DELTA»fliquid = -227.3 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-4813. ± 1.kJ/molCcbDavies and Gilbert, 1941Corresponding «DELTA»fliquid = -228.6 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
liquid309.6J/mol*KN/AHuffman, Parks, et al., 1930Extrapolation below 70 K, 70.71 J/mol*K. Forms glass at low temperatures. Value includes estimated zero point entropy of 17 J/mol*K.; DH

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
216.7289.2Parks, Thomas, et al., 1936T = 71 to 290 K. Glass at lower temperatures. Value is unsmoothed experimental datum.; DH
214.2289.2Huffman, Parks, et al., 1930T = 71 to 289 K. Value is unsmoothed experimental datum.; DH

Phase change data

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

Data compiled as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Kenneth Kroenlein director
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tboil365.0 ± 0.3KAVGN/AAverage of 34 out of 38 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus153.75KN/ATimmermans, 1921Uncertainty assigned by TRC = 0.5 K; TRC
Quantity Value Units Method Reference Comment
Tc535.2 ± 0.4KN/ADaubert, 1996 
Tc535.2KN/AMajer and Svoboda, 1985 
Tc535.19KN/AMcMicking and Kay, 1965Uncertainty assigned by TRC = 0.4 K; TRC
Tc535.55KN/AEdgar and Calingaert, 1929Uncertainty assigned by TRC = 0.5 K; measured by Keys and Kleinschmidt; TRC
Quantity Value Units Method Reference Comment
Pc28.1 ± 0.4barN/ADaubert, 1996 
Pc28.135barN/AMcMicking and Kay, 1965Uncertainty assigned by TRC = 0.4053 bar; TRC
Pc28.50barN/AEdgar and Calingaert, 1929Uncertainty assigned by TRC = 51.334 bar; measured by Keys and Kleinschmidt; TRC
Quantity Value Units Method Reference Comment
Vc0.404l/molN/ADaubert, 1996 
Quantity Value Units Method Reference Comment
rhoc2.47 ± 0.04mol/lN/ADaubert, 1996 
rhoc2.48mol/lN/AMcMicking and Kay, 1965Uncertainty assigned by TRC = 0.05 mol/l; TRC
Quantity Value Units Method Reference Comment
Deltavap35.16kJ/molN/AMajer and Svoboda, 1985 
Deltavap35.1 ± 0.1kJ/molCMajer, Svoboda, et al., 1979AC
Deltavap35.1kJ/molN/AReid, 1972AC

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
30.89365.N/AMajer and Svoboda, 1985 
35.1304.AStephenson and Malanowski, 1987Based on data from 289. - 366. K.; AC
34.2 ± 0.1313.CMajer, Svoboda, et al., 1979AC
32.9 ± 0.1333.CMajer, Svoboda, et al., 1979AC
31.7 ± 0.1353.CMajer, Svoboda, et al., 1979AC
34.9308.N/AForziati, Norris, et al., 1949Based on data from 293. - 366. K.; AC

Enthalpy of vaporization

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

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Temperature (K) A (kJ/mol) beta Tc (K) Reference Comment
298. - 353.51.30.2776535.2Majer and Svoboda, 1985 

Antoine Equation Parameters

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

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Temperature (K) A B C Reference Comment
293.06 - 365.893.998851243.759-53.524Forziati, Norris, et al., 1949, 2Coefficents calculated by NIST from author's data.

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, Henry's Law data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, NIST Free Links, 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

2-Hexene, 3-methyl-, (Z)- + Hydrogen = Hexane, 3-methyl-

By formula: C7H14 + H2 = C7H16

Quantity Value Units Method Reference Comment
Deltar-107.4 ± 0.6kJ/molChydRogers and Dejroongruang, 1988liquid phase; solvent: Hydrocarbone

Hydrogen + 1-Pentene, 2-ethyl- = Hexane, 3-methyl-

By formula: H2 + C7H14 = C7H16

Quantity Value Units Method Reference Comment
Deltar-114.6 ± 1.1kJ/molChydRogers and Dejroongruang, 1989liquid phase; solvent: Cyclohexane

Hydrogen + 1-Hexene, 3-methyl- = Hexane, 3-methyl-

By formula: H2 + C7H14 = C7H16

Quantity Value Units Method Reference Comment
Deltar-124.5 ± 0.4kJ/molChydRogers and Dejroongruang, 1988liquid phase; solvent: Hydrocarbone

Hydrogen + 1-Hexene, 4-methyl- = Hexane, 3-methyl-

By formula: H2 + C7H14 = C7H16

Quantity Value Units Method Reference Comment
Deltar-122.7 ± 0.3kJ/molChydRogers and Dejroongruang, 1988liquid phase; solvent: Hydrocarbone

Hydrogen + (Z)-4-Methyl-2-hexene = Hexane, 3-methyl-

By formula: H2 + C7H14 = C7H16

Quantity Value Units Method Reference Comment
Deltar-115.6 ± 0.3kJ/molChydRogers and Dejroongruang, 1988liquid phase; solvent: Hydrocarbone

Hydrogen + 2-Hexene, 4-methyl-, (E)- = Hexane, 3-methyl-

By formula: H2 + C7H14 = C7H16

Quantity Value Units Method Reference Comment
Deltar-111.2 ± 0.4kJ/molChydRogers and Dejroongruang, 1988liquid phase; solvent: Hydrocarbone

Hydrogen + 3-Hexene, 3-methyl-, (Z)- = Hexane, 3-methyl-

By formula: H2 + C7H14 = C7H16

Quantity Value Units Method Reference Comment
Deltar-110.6 ± 0.4kJ/molChydRogers and Dejroongruang, 1988liquid phase; solvent: Hydrocarbone

Hydrogen + 3-Hexene, 3-methyl-, (E)- = Hexane, 3-methyl-

By formula: H2 + C7H14 = C7H16

Quantity Value Units Method Reference Comment
Deltar-109.4 ± 0.4kJ/molChydRogers and Dejroongruang, 1988liquid phase; solvent: Hydrocarbone

Hexane, 2-methyl- = Hexane, 3-methyl-

By formula: C7H16 = C7H16

Quantity Value Units Method Reference Comment
Deltar-0.10 ± 0.21kJ/molEqkRoganov, Kabo, et al., 1972gas phase; At 368 K

Henry's Law 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: Rolf Sander

Henry's Law constant (water solution)

kH(T) = H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
H = Henry's law constant for solubility in water at 298.15 K (mol/kg*bar)
d(ln(kH))/d(1/T) = Temperature dependence constant (K)

H (mol/kg*bar) d(ln(kH))/d(1/T) (K) Method Reference Comment
0.00032 QN/A missing citation give several references for the Henry's law constants but don't assign them to specific species.
0.00042 LN/A 

IR Spectrum

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Mass spectrum (electron ionization), Gas Chromatography, NIST Free Links, 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

Gas Phase Spectrum

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IR spectrum
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Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.

Additional Data

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Owner NIST Standard Reference Data Program
Collection (C) 2018 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin NIST Mass Spectrometry Data Center
State gas
Instrument HP-GC/MS/IRD

This IR spectrum is from the NIST/EPA Gas-Phase Infrared Database .


Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, IR Spectrum, Gas Chromatography, NIST Free Links, 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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Mass spectrum
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Additional Data

View image of digitized spectrum (can be printed in landscape orientation).

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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-3059
NIST MS number 231738

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


Gas Chromatography

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, IR Spectrum, Mass spectrum (electron ionization), NIST Free Links, 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

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Column type Active phase Temperature (C) I Reference Comment
CapillaryOV-10140.675.9Chen, Liang, et al., 2001He; Column length: 50. m; Column diameter: 0.25 mm
CapillaryOV-10160.676.6Chen, Liang, et al., 2001He; Column length: 50. m; Column diameter: 0.25 mm
CapillarySqualane100.676.Heinzen, Soares, et al., 1999 
CapillaryOV-1010.674.Skrbic, 1997 
CapillaryOV-1010.677.Skrbic, 1997 
PackedSqualane78.5678.2Zhang and Lu, 1996 
PackedSqualane78.5689.2Zhang and Lu, 1996 
CapillaryCP Sil 260.675.5Estel, Mohnke, et al., 1995100. m/0.25 mm/0.25 «mu»m
CapillaryOV-101150.679.3Cha and Lee, 1994Column length: 20. m; Column diameter: 0.5 mm
CapillaryOV-101180.682.3Cha and Lee, 1994Column length: 20. m; Column diameter: 0.5 mm
CapillarySqualane25.675.Hilal, Carreira, et al., 1994 
CapillaryBP-10.677.Skrbic and Cvejanov, 199215. m/0.53 mm/1.0 «mu»m, N2
CapillaryHP-160.678.Bangjie, Yijian, et al., 1988N2; Column length: 25. m; Column diameter: 0.20 mm
CapillaryHP-160.678.Bangjie, Yijian, et al., 1988N2; Column length: 25. m; Column diameter: 0.20 mm
CapillaryOV-10140.676.Laub and Purnell, 1988 
CapillaryOV-10160.676.Laub and Purnell, 1988 
CapillaryOV-10180.676.Laub and Purnell, 1988 
CapillarySqualane50.675.8Lunskii and Paizanskaya, 1988He; Column length: 50. m; Column diameter: 0.22 mm
CapillarySqualane70.676.8Lunskii and Paizanskaya, 1988He; Column length: 50. m; Column diameter: 0.22 mm
CapillaryNonpolar55.676.Stoyanov and Dimov, 1987 
CapillaryNonpolar60.676.Stoyanov and Dimov, 1987 
CapillaryNonpolar65.677.Stoyanov and Dimov, 1987 
CapillaryOV-10140.675.7Boneva and Dimov, 1986100. m/0.27 mm/0.9 «mu»m
CapillaryOV-10150.676.1Boneva and Dimov, 1986100. m/0.27 mm/0.9 «mu»m
CapillaryOV-10160.676.4Boneva and Dimov, 1986100. m/0.27 mm/0.9 «mu»m
CapillaryOV-10170.676.9Boneva and Dimov, 1986100. m/0.27 mm/0.9 «mu»m
CapillaryOV-10130.674.Chien, Furio, et al., 1983 
CapillaryOV-10140.675.Chien, Furio, et al., 1983 
CapillaryOV-10150.675.Chien, Furio, et al., 1983 
CapillaryOV-10160.676.Chien, Furio, et al., 1983 
CapillaryOV-10170.676.Chien, Furio, et al., 1983 
CapillaryOV-10180.676.Chien, Furio, et al., 1983 
CapillaryDB-160.676.8Lubeck and Sutton, 1983Column length: 60. m; Column diameter: 0.264 mm
CapillaryDB-160.676.8Lubeck and Sutton, 198360. m/0.259 mm/1. «mu»m
CapillaryOV-150.676.Anders, Scheller, et al., 1982Column length: 55. m; Column diameter: 0.21 mm
CapillaryOV-10150.676.Johansen and Ettre, 1982100. m/0.27 mm/0.20 «mu»m
CapillaryOV-10150.676.Johansen and Ettre, 198255. m/0.27 mm/0.9 «mu»m
CapillarySF-9650.676.Johansen and Ettre, 198291.4 m/0.31 mm/0.20 «mu»m
CapillaryOV-160.672.Nijs and Jacobs, 1981He; Column length: 150. m; Column diameter: 0.50 mm
CapillarySqualane50.675.5Bajus, Veselý, et al., 1979Column length: 100. m; Column diameter: 0.25 mm
CapillarySqualane70.676.1Bajus, Veselý, et al., 1979Column length: 100. m; Column diameter: 0.25 mm
PackedTriacontane70.676.Castello and D'Amato, 1979He, Chromosorb W AW (60-80 mesh); Column length: 3. m
PackedTriacontane80.677.Castello and D'Amato, 1979He, Chromosorb W AW (60-80 mesh); Column length: 3. m
PackedSqualane70.677.Castello and D'Amato, 1979He, Chromosorb W AW (60-80 mesh); Column length: 3. m
PackedSqualane80.677.Castello and D'Amato, 1979He, Chromosorb W AW (60-80 mesh); Column length: 3. m
CapillarySqualane60.676.Chretien and Dubois, 1976 
CapillarySqualane100.678.5Lulova, Leont'eva, et al., 1976He; Column length: 120. m; Column diameter: 0.25 mm
CapillarySqualane100.671.1Lulova, Leont'eva, et al., 1976He; Column length: 120. m; Column diameter: 0.25 mm
CapillarySqualane100.673.2Lulova, Leont'eva, et al., 1976He; Column length: 120. m; Column diameter: 0.25 mm
CapillarySqualane50.676.Rijks, van den Berg, et al., 1974 
CapillarySqualane50.676.Rijks, van den Berg, et al., 1974 
CapillarySqualane70.677.Rijks, van den Berg, et al., 1974 
CapillarySqualane70.677.Rijks, van den Berg, et al., 1974 
CapillarySqualane50.676.Rijks and Cramers, 1974N2; Column length: 100. m; Column diameter: 0.25 mm
CapillarySqualane70.677.Rijks and Cramers, 1974N2; Column length: 100. m; Column diameter: 0.25 mm
PackedSF-96100.678.51Castello, Berg, et al., 1973Chromosorb P(DMCS); Column length: 4. m
PackedSF-96110.679.09Castello, Berg, et al., 1973Chromosorb P(DMCS); Column length: 4. m
PackedSF-96120.679.75Castello, Berg, et al., 1973Chromosorb P(DMCS); Column length: 4. m
PackedSF-9680.677.32Castello, Berg, et al., 1973Chromosorb P(DMCS); Column length: 4. m
PackedSF-9690.677.95Castello, Berg, et al., 1973Chromosorb P(DMCS); Column length: 4. m
CapillaryOV-10150.676.Pacáková, Hoch, et al., 197325. m/0.25 mm/1.39 «mu»m, N2
CapillaryOV-10160.677.Pacáková, Hoch, et al., 197325. m/0.25 mm/1.39 «mu»m, N2
CapillaryApiezon L100.674.Rappoport and Gäumann, 1973 
CapillaryVacuum Grease Oil (VM-4)35.674.Sidorov, Petrova, et al., 1972 
CapillaryVacuum Grease Oil (VM-4)45.675.Sidorov, Petrova, et al., 1972 
CapillaryVacuum Grease Oil (VM-4)50.675.Sidorov, Petrova, et al., 1972 
CapillaryVacuum Grease Oil (VM-4)58.676.Sidorov, Petrova, et al., 1972 
CapillaryVacuum Grease Oil (VM-4)68.676.Sidorov, Petrova, et al., 1972 
CapillarySqualane70.676.4Dimov and Schopov, 1971Column length: 100. m; Column diameter: 0.25 mm
PackedSE-3075.677.Robinson and Odell, 1971N2, Chromosorb W; Column length: 6.1 m
PackedSqualane100.678.Robinson and Odell, 1971N2, Embacel; Column length: 3.0 m
CapillarySqualane70.677.Cramers, Rijks, et al., 1970Column length: 100. m; Column diameter: 0.25 mm
CapillarySqualane70.677.Cramers, Rijks, et al., 1970Column length: 100. m; Column diameter: 0.25 mm
CapillarySqualane70.677.Cramers, Rijks, et al., 1970Column length: 100. m; Column diameter: 0.25 mm
PackedSE-3080.677.Mitra and Saha, 1970N2
PackedSqualane25.676.Mitra and Saha, 1970N2
PackedSqualane80.677.Mitra and Saha, 1970N2
CapillarySqualane40.677.Matukuma, 1969N2; Column length: 91.4 m; Column diameter: 0.25 mm
PackedSqualane27.676.Hively and Hinton, 1968He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
PackedSqualane49.676.Hively and Hinton, 1968He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
PackedSqualane67.677.Hively and Hinton, 1968He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
PackedSqualane86.678.Hively and Hinton, 1968He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
PackedSqualane30.675.Tourres, 1967H2; Column length: 10. m
PackedSqualane50.676.Tourres, 1967H2; Column length: 10. m
CapillarySqualane30.676.Tourres, 1967, 2H2; Column length: 100. m; Column diameter: 0.25 mm
CapillarySqualane50.676.Tourres, 1967, 2H2; Column length: 100. m; Column diameter: 0.25 mm
CapillarySqualane70.677.Tourres, 1967, 2H2; Column length: 100. m; Column diameter: 0.25 mm
PackedSE-3070.683.Widmer, 1967Diatoport S; Column length: 7.9 m
PackedSqualane100.678.Evans, 1966Untreated celite; Column length: 1.8 m
PackedSqualane22.675.Evans, 1966Untreated celite; Column length: 1.8 m
PackedSqualane30.676.Evans, 1966Untreated celite; Column length: 1.8 m
PackedSqualane40.676.Evans, 1966Untreated celite; Column length: 1.8 m
PackedSqualane55.677.Evans, 1966Untreated celite; Column length: 1.8 m
PackedSqualane60.676.Evans, 1966Untreated celite; Column length: 1.8 m
PackedSqualane70.677.Evans, 1966Untreated celite; Column length: 1.8 m
PackedSqualane80.677.Evans, 1966Untreated celite; Column length: 1.8 m
PackedSqualane26.679.Zulaïca and Guiochon, 1966Column length: 10. m

Kovats' RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillarySE-54667.Rembold, Wallner, et al., 198930. m/0.25 mm/0.25 «mu»m, He, 0. C @ 12. min, 12. K/min; Tend: 250. C
CapillaryOV-101669.Hayes and Pitzer, 1982110. m/0.25 mm/0.20 «mu»m, He, 1. K/min; Tstart: 35. C; Tend: 200. C
CapillaryApiezon L672.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

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Column type Active phase I Reference Comment
CapillaryPetrocol DH-100675.8Haagen-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-1678.Hoekman, 199360. m/0.32 mm/1.0 «mu»m, 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
CapillaryHP-5671.Insausti, Goñi, et al., 200550. m/0.32 mm/1.05 «mu»m, He, 35. C @ 15. min, 8. K/min, 220. C @ 5. min
CapillaryPetrocol DH673.9Censullo, Jones, et al., 200350. m/0.25 mm/0.5 «mu»m, He, 35. C @ 10. min, 3. K/min, 200. C @ 10. min
CapillarySPB-1666.92LECO Corporation, 200330. m/0.25 mm/0.25 «mu»m, 40. C @ 2. min, 10. K/min, 250. C @ 2. min
CapillarySPB-1667.66LECO Corporation, 200330. m/0.25 mm/0.25 «mu»m, 40. C @ 2. min, 10. K/min, 250. C @ 2. min
CapillaryDB-5672.7Xu, van Stee, et al., 200330. m/0.25 mm/1. «mu»m, He, 2.5 K/min; Tstart: 50. C; Tend: 200. C
CapillaryOV-101672.2Yin, Liu, et al., 2001N2, 1. K/min; Column length: 80. m; Column diameter: 0.22 mm; Tstart: 30. C; Tend: 130. C
CapillaryPetrocol DH670.16Subramaniam, Bochniak, et al., 1994100. m/0.25 mm/0.5 «mu»m, He, 1. K/min; Tstart: 30. C; Tend: 220. C
CapillaryPetrocol DH670.26Subramaniam, Bochniak, et al., 1994100. m/0.25 mm/0.5 «mu»m, He, 1. K/min; Tstart: 30. C; Tend: 220. C
CapillaryUltra-1676.Olson, Sinkevitch, et al., 19924. K/min; Tstart: -40. C; Tend: 230. C
CapillaryPetrocol DH670.56White, Douglas, et al., 1992100. m/0.25 mm/0.5 «mu»m, He, 1. K/min; Tstart: 30. C; Tend: 220. C
CapillaryPetrocol DH670.6White, Douglas, et al., 1992100. m/0.25 mm/0.5 «mu»m, He, 1. K/min; Tstart: 30. C; Tend: 220. C
CapillaryPetrocol DH671.White, Hackett, et al., 1992100. m/0.25 mm/0.5 «mu»m, He, 1. K/min; Tstart: 30. C; Tend: 220. C
CapillaryHP-1676.9Bangjie, Xijian, et al., 1987N2, 10. K/min; Column length: 25. m; Column diameter: 0.2 mm; Tstart: 30. C
CapillaryHP-1676.5Bangjie, Xijian, et al., 1987N2, 2. K/min; Column length: 25. m; Column diameter: 0.2 mm; Tstart: 30. C
CapillaryHP-1675.8Bangjie, Xijian, et al., 1987N2, 30. C @ 5. min, 5. K/min; Column length: 25. m; Column diameter: 0.2 mm
CapillaryOV-101669.Hayes and Pitzer, 1981108. m/0.25 mm/0.2 «mu»m, 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
CapillaryDB-5671.Zaikin and Borisov, 2002He; Column length: 30. m; Column diameter: 0.25 mm; Program: 30C => 5K/min=120C => 10C/min => 270C
CapillaryMethyl Silicone669.20Hassoun, Pilling, et al., 199950. m/0.25 mm/1. «mu»m, He; Program: -50C(2min) => 49.9C/min => 35C(10min) => 3C/min => 200C(2min) => 40C/min => 240C(30min)
CapillaryOV-101672.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-10140.676.Li and Deng, 1998N2; Column length: 51. m; Column diameter: 0.25 mm
CapillaryMethyl Silicone50.676.N/AN2; Column length: 74.6 m; Column diameter: 0.28 mm
CapillaryOV-10150.676.Wu and Lu, 1984, 2 
CapillaryOV-10170.677.Wu and Lu, 1984, 2 
CapillarySqualane100.678.Dimov N., 1976 
CapillarySqualane70.677.Dimov N., 1976 
CapillarySqualane86.669.Vigdergauz and Martynov, 1971He; Column length: 150. m; Column diameter: 0.35 mm
CapillaryApiezon L40. - 190.676.Mann, Mühlstädt, et al., 1967Column length: 2. m
PackedMethyl Silicone50.664.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 CB676.Bramston-Cook, 201360. m/0.25 mm/1.0 «mu»m, Helium, 45. C @ 1.45 min, 3.6 K/min, 210. C @ 2.72 min
CapillaryPetrocol DH672.Supelco, 2012100. m/0.25 mm/0.50 «mu»m, Helium, 20. C @ 15. min, 15. K/min, 220. C @ 30. min
CapillaryPONA674.Zhang, Ding, et al., 200950. m/0.20 mm/0.50 «mu»m, Nitrogen, 35. C @ 15. min, 2. K/min, 200. C @ 10. min
CapillaryOV-1672.2Krkosova, Kubinec, et al., 2007100. m/0.32 mm/0.25 «mu»m, Helium, 5. K/min, 310. C @ 5. min; Tstart: 30. C
CapillaryDB-5670.Morteza-Semnani, Saeedi, et al., 200630. m/0.25 mm/0.25 «mu»m, He, 60. C @ 4. min, 4. K/min; Tend: 260. C
CapillaryBP-1674.Health Safety Executive, 200050. m/0.22 mm/0.75 «mu»m, He, 5. K/min; Tstart: 50. C; Tend: 200. C
CapillaryOV-101677.Orav, Kailas, et al., 199950. m/0.20 mm/0.50 «mu»m, Helium, 30. C @ 6. min, 1. K/min; Tend: 100. C
CapillarySE-54672.Guan, Li, et al., 199560. C @ 2. min, 4. K/min; Column length: 50. m; Column diameter: 0.32 mm; Tend: 200. C
CapillaryDB-1676.Ciccioli, Cecinato, et al., 199260. m/0.32 mm/1.2 «mu»m, He, 30. C @ 10. min, 3. K/min; Tend: 240. C
PackedApiezon L675.Dahlmann, Köser, et al., 1979Chromosorb G-AW-DMCS, 10. K/min; Column length: 2. m; Tstart: 25. C
CapillarySF-96673.Donetzhuber, Johansson, et al., 1976Nitrogen, 3. K/min, 130. C @ 40. min; Column length: 111. m; Column diameter: 0.76 mm; Initial hold: 8. min

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

View large format table.

Column type Active phase I Reference Comment
CapillaryMethyl Silicone678.Chen and Feng, 2007Program: not specified
CapillaryMethyl Silicone677.Blunden, Aneja, et al., 200560. m/0.32 mm/1.0 «mu»m, Helium; Program: -50 0C (2 min) 8 0C/min -> 200 0C (7.75 min) 25 0C -> 225 0C (8 min)
CapillaryOV-101677.Du and Liang, 2003Program: not specified
CapillaryPolydimethyl siloxane676.Junkes, Castanho, et al., 2003Program: not specified
CapillaryBPX-5671.Machiels, van Ruth, et al., 200360. m/0.32 mm/1. «mu»m, He; Program: 40C (4min) => 2C/min => 90C => 4C/min => 130C => 8C/min => 250 C (10min)
CapillaryBP-1668.04Cooke, Hassoun, et al., 200150. m/0.25 mm/1. «mu»m, He; Program: -50C => 49.9C/min => 5C(3min) => 3C/min => 50C => 5C/min => 220C(20 min)
CapillaryPolydimethyl siloxanes672.Yin, Guo, et al., 2001Program: not specified
CapillaryMethyl Silicone676.Zenkevich and Marinichev, 2001Program: not specified
CapillaryMethyl Silicone675.Spieksma, 1999Program: not specified
CapillaryMethyl Silicone676.Zenkevich, 1999Program: not specified
CapillaryOV-1676.Zhu and He, 1999Program: not specified
CapillaryOV-1677.Zhu and He, 1999Program: not specified
CapillarySE-54676.Zhu and He, 1999Program: not specified
CapillarySE-54677.Zhu and He, 1999Program: not specified
CapillaryMethyl Silicone665.Xu, Chu, et al., 1995Program: not specified
CapillaryDB-1672.Ciccioli, Cecinato, et al., 199460. m/0.32 mm/0.25 «mu»m; Program: not specified
CapillaryOV-101674.Skrbic and Cvejanov, 1993Program: not specified
CapillarySE-52672.van Langenhove and Schamp, 1986Column length: 100. m; Column diameter: 0.50 mm; Program: not specified
CapillarySqualane673.Petrov, 1984Program: not specified
CapillaryOV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.675.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified
PackedSE-30683.Robinson and Odell, 1971N2, Chromosorb W; Column length: 6.1 m; Program: 50C910min) => 20C/min => 90(6min) => 10C/min => 150C(hold)
PackedSqualane685.Robinson and Odell, 1971N2, Embacel; Column length: 3.0 m; Program: 25C(5min) => 2C/min => 35 => 4C/min => 95C(hold)
PackedSE-30683.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)
PackedSqualane685.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, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-Innowax700.Cajka, Riddellova, et al., 201030. m/0.25 mm/0.25 «mu»m, Helium; Program: 45 0C (1 min) 5 oC/min -> 170 0C 10 0C/min -> 260 0C (1 min)

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, NIST Free Links, Notes

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

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
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Huffman, Parks, et al., 1930
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McMicking and Kay, 1965
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Reid, Robert C., Handbook on vapor pressure and heats of vaporization of hydrocarbons and related compounds, R. C. Wilhort and B. J. Zwolinski, Texas A Research Foundation. College Station, Texas(1971). 329 pages.$10.00, AIChE J., 1972, 18, 6, 1278-1278, https://doi.org/10.1002/aic.690180637 . [all data]

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Forziati, A.F.; Norris, W.R.; Rossini, F.D., Vapor Pressures and Boiling Points of Sixty API-NBS Hydrocarbons, J. Res. Natl. Bur. Stand. (U.S.), 1949, 43, 6, 555-563, https://doi.org/10.6028/jres.043.050 . [all data]

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Cha and Lee, 1994
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Skrbic and Cvejanov, 1992
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Laub and Purnell, 1988
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Lunskii and Paizanskaya, 1988
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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]

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]

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
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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]

Castello, Berg, et al., 1973
Castello, G.; Berg, M.; Lunardelli, M., Temperature dependence of the retention indices of branched-chain paraffins on non-polar stationary phases. A method for its calculation on the basis of molecular structure, J. Chromatogr., 1973, 79, 23-31, https://doi.org/10.1016/S0021-9673(01)85270-5 . [all data]

Pacáková, Hoch, et al., 1973
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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
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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]

Cramers, Rijks, et al., 1970
Cramers, C.A.; Rijks, J.A.; Pacáková, V.; de Andrade, I.R., The application of precision gas chromatography to the identification of types of hydrocarbons, J. Chromatogr., 1970, 51, 13-21, https://doi.org/10.1016/S0021-9673(01)96835-9 . [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
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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]

Widmer, 1967
Widmer, H., Gas chromatographic identification of hydrocarbons using retention indices, J. Gas Chromatogr., 1967, 5, 10, 506-510, https://doi.org/10.1093/chromsci/5.10.506 . [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]

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Rembold, Wallner, et al., 1989
Rembold, H.; Wallner, P.; Nitz, S.; Kollmannsberger, H.; Drawert, F., Volatile components of chickpea (Cicer arietinum L.) seed, J. Agric. Food Chem., 1989, 37, 3, 659-662, https://doi.org/10.1021/jf00087a018 . [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]

Hoekman, 1993
Hoekman, S.K., Improved gas chromatography procedure for speciated hydrocarbon measurements of vehicle emissions, J. Chromatogr., 1993, 639, 2, 239-253, https://doi.org/10.1016/0021-9673(93)80260-F . [all data]

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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]

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Notes

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