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Pentane, 2,3-dimethyl-

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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-47.62 ± 0.30kcal/molCcbProsen and Rossini, 1945ALS
Deltafgas-47.49kcal/molN/ADavies and Gilbert, 1941Value computed using «DELTA»fHliquid° value of -233.0±1.0 kj/mol from Davies and Gilbert, 1941 and «DELTA»vapH° value of 34.3 kj/mol from Prosen and Rossini, 1945.; DRB

Condensed phase thermochemistry data

Go To: Top, Gas 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
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Deltafliquid-55.81 ± 0.30kcal/molCcbProsen and Rossini, 1945ALS
Deltafliquid-55.7 ± 0.3kcal/molCcbDavies and Gilbert, 1941ALS
Quantity Value Units Method Reference Comment
Deltacliquid-1149.09 ± 0.28kcal/molCcbProsen and Rossini, 1945Corresponding «DELTA»fliquid = -55.79 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-1149.1 ± 0.3kcal/molCcbDavies and Gilbert, 1941Corresponding «DELTA»fliquid = -55.82 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
liquid71.01cal/mol*KN/AFinke, Messerly, et al., 1976DH
liquid73.21cal/mol*KN/AHuffman, Parks, et al., 1930Extrapolation below 70 K, 69.5 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 (cal/mol*K) Temperature (K) Reference Comment
52.17298.15Finke, Messerly, et al., 1976T = 10 to 400 K.; DH
51.60291.5Huffman, Parks, et al., 1930T = 68 to 292 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:
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

Quantity Value Units Method Reference Comment
Tboil362.9 ± 0.3KAVGN/AAverage of 35 out of 39 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus149.36KN/AAnonymous, 1961Uncertainty assigned by TRC = 0.05 K; TRC
Tfus139.85KN/ABrooks, Cleaton, et al., 1937Uncertainty assigned by TRC = 1. K; TRC
Quantity Value Units Method Reference Comment
Tc537.3 ± 0.5KN/ADaubert, 1996 
Tc537.29KN/AMcMicking and Kay, 1965Uncertainty assigned by TRC = 0.4 K; TRC
Tc537.KN/AFrancis, 1957Uncertainty assigned by TRC = 1. K; TRC
Tc537.75KN/AEdgar and Calingaert, 1929Uncertainty assigned by TRC = 0.5 K; measured by Keys and Kleinschmidt; TRC
Quantity Value Units Method Reference Comment
Pc28.7 ± 0.5atmN/ADaubert, 1996 
Pc28.700atmN/AMcMicking and Kay, 1965Uncertainty assigned by TRC = 0.4000 atm; TRC
Pc29.2000atmN/AEdgar and Calingaert, 1929Uncertainty assigned by TRC = 0.5000 atm; measured by Keys and Kleinschmidt; TRC
Quantity Value Units Method Reference Comment
Vc0.393l/molN/ADaubert, 1996 
Quantity Value Units Method Reference Comment
rhoc2.54 ± 0.05mol/lN/ADaubert, 1996 
rhoc2.54mol/lN/AMcMicking and Kay, 1965Uncertainty assigned by TRC = 0.05 mol/l; TRC
Quantity Value Units Method Reference Comment
Deltavap8.20 ± 0.02kcal/molCMajer, Svoboda, et al., 1979AC
Deltavap8.17 ± 0.02kcal/molCOsborne and Ginnings, 1947AC
Deltavap8.181kcal/molCOsborne and Ginnings, 1947, 2ALS

Enthalpy of vaporization

DeltavapH (kcal/mol) Temperature (K) Method Reference Comment
7.89324.N/AMontón, de la Torre, et al., 1999Based on data from 309. - 371. K.; AC
8.58271.AStephenson and Malanowski, 1987Based on data from 208. - 286. K.; AC
8.25301.AStephenson and Malanowski, 1987Based on data from 286. - 365. K. See also Kkykj and Repas, 1973.; AC
7.98 ± 0.02313.CMajer, Svoboda, et al., 1979AC
7.70 ± 0.02333.CMajer, Svoboda, et al., 1979AC
7.43 ± 0.02353.CMajer, Svoboda, et al., 1979AC
8.22306.N/AForziati, Norris, et al., 1949Based on data from 291. - 364. K.; AC

Antoine Equation Parameters

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

View plot Requires a JavaScript / HTML 5 canvas capable browser.

Temperature (K) A B C Reference Comment
290.67 - 363.833.981111242.609-50.806Forziati, 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-Pentene, 2,3-dimethyl- + Hydrogen = Pentane, 2,3-dimethyl-

By formula: C7H14 + H2 = C7H16

Quantity Value Units Method Reference Comment
Deltar-25.43 ± 0.38kcal/molChydRogers and Dejroongruang, 1989liquid phase; solvent: Cyclohexane
Deltar-27.0 ± 1.1kcal/molChydLopes, Nunes, et al., 1975liquid phase; solvent: Acetic acid

Heptane = Pentane, 2,3-dimethyl-

By formula: C7H16 = C7H16

Quantity Value Units Method Reference Comment
Deltar-2.18 ± 0.26kcal/molCcbProsen and Rossini, 1941liquid phase; Heat of Isomerization
Deltar-2.80 ± 0.30kcal/molCcbProsen and Rossini, 1941gas phase; Heat of Isomerization

Hydrogen + 1-Butene, 2-ethyl-3-methyl- = Pentane, 2,3-dimethyl-

By formula: H2 + C7H14 = C7H16

Quantity Value Units Method Reference Comment
Deltar-27.25 ± 0.31kcal/molChydRogers and Dejroongruang, 1989liquid phase; solvent: Cyclohexane

Hydrogen + 2-Pentene, 3,4-dimethyl-, (E)- = Pentane, 2,3-dimethyl-

By formula: H2 + C7H14 = C7H16

Quantity Value Units Method Reference Comment
Deltar-25.81 ± 0.1kcal/molChydRogers and Dejroongruang, 1989liquid phase; solvent: Cyclohexane

Hydrogen + 2-Pentene, 3,4-dimethyl-, (Z)- = Pentane, 2,3-dimethyl-

By formula: H2 + C7H14 = C7H16

Quantity Value Units Method Reference Comment
Deltar-25.88 ± 0.1kcal/molChydRogers and Dejroongruang, 1989liquid phase; solvent: Cyclohexane

Hydrogen + 1-Pentene, 2,3-dimethyl- = Pentane, 2,3-dimethyl-

By formula: H2 + C7H14 = C7H16

Quantity Value Units Method Reference Comment
Deltar-27.1 ± 0.2kcal/molChydRogers and Dejroongruang, 1989liquid phase; solvent: Cyclohexane

Hydrogen + 1-Pentene, 3,4-dimethyl- = Pentane, 2,3-dimethyl-

By formula: H2 + C7H14 = C7H16

Quantity Value Units Method Reference Comment
Deltar29.1 ± 0.2kcal/molChydRogers and Dejroongruang, 1989liquid phase; solvent: Cyclohexane

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
0.00057 QN/A missing citation give several references for the Henry's law constants but don't assign them to specific species.
0.00058 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 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, 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

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Due to licensing restrictions, this spectrum cannot be downloaded.

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 Chemical Concepts
NIST MS number 151337

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

View large format table.

Column type Active phase Temperature (C) I Reference Comment
CapillaryOV-10140.668.2Chen, Liang, et al., 2001He; Column length: 50. m; Column diameter: 0.25 mm
CapillaryOV-10160.670.0Chen, Liang, et al., 2001He; Column length: 50. m; Column diameter: 0.25 mm
PackedC78, Branched paraffin130.679.4Dallos, Sisak, et al., 2000He; Column length: 3.3 m
CapillarySqualane100.672.Heinzen, Soares, et al., 1999 
CapillaryOV-1010.665.Skrbic, 1997 
CapillaryOV-1010.665.Skrbic, 1997 
PackedSqualane78.5674.8Zhang and Lu, 1996 
CapillaryOV-101150.677.3Cha and Lee, 1994Column length: 20. m; Column diameter: 0.5 mm
CapillaryOV-101180.684.1Cha and Lee, 1994Column length: 20. m; Column diameter: 0.5 mm
CapillarySqualane25.670.Hilal, Carreira, et al., 1994 
CapillaryDB-160.671.1Krupcik, Skacani, et al., 1994H2; Phase thickness: 0.25 «mu»m
CapillaryPONA60.671.0Krupcik, Skacani, et al., 1994H2; Phase thickness: 0.5 «mu»m
CapillaryPONA60.671.1Krupcik, Skacani, et al., 1994H2; Phase thickness: 0.5 «mu»m
CapillaryDB-160.671.2Krupcik, Skacani, et al., 1994H2; Phase thickness: 1. «mu»m
CapillaryOV-10160.671.0Krupcik, Skacani, et al., 1994H2; Phase thickness: 0.2 «mu»m
PackedC78, Branched paraffin130.679.4Reddy, Dutoit, et al., 1992Chromosorb G HP; Column length: 3.3 m
CapillaryBP-10.665.Skrbic and Cvejanov, 199215. m/0.53 mm/1.0 «mu»m, N2
CapillaryOV-145.669.9Guan, Kiraly, et al., 198925. m/0.31 mm/0.52 «mu»m, He
CapillaryOV-165.672.Guan, Kiraly, et al., 198925. m/0.31 mm/0.52 «mu»m, He
CapillaryOV-10140.656.Laub and Purnell, 1988 
CapillaryOV-10140.669.Laub and Purnell, 1988 
CapillaryOV-10160.658.Laub and Purnell, 1988 
CapillaryOV-10160.671.Laub and Purnell, 1988 
CapillaryOV-10180.661.Laub and Purnell, 1988 
CapillaryOV-10180.673.Laub and Purnell, 1988 
CapillarySqualane50.671.6Lunskii and Paizanskaya, 1988He; Column length: 50. m; Column diameter: 0.22 mm
CapillarySqualane70.673.1Lunskii and Paizanskaya, 1988He; Column length: 50. m; Column diameter: 0.22 mm
CapillaryNonpolar55.672.Stoyanov and Dimov, 1987 
CapillaryNonpolar60.673.Stoyanov and Dimov, 1987 
CapillaryNonpolar65.673.Stoyanov and Dimov, 1987 
CapillaryOV-10140.668.8Boneva and Dimov, 1986100. m/0.27 mm/0.9 «mu»m
CapillaryOV-10150.669.7Boneva and Dimov, 1986100. m/0.27 mm/0.9 «mu»m
CapillaryOV-10160.670.5Boneva and Dimov, 1986100. m/0.27 mm/0.9 «mu»m
CapillaryOV-10170.671.5Boneva and Dimov, 1986100. m/0.27 mm/0.9 «mu»m
CapillaryOV-10130.668.Chien, Furio, et al., 1983 
CapillaryOV-10140.669.Chien, Furio, et al., 1983 
CapillaryOV-10150.670.Chien, Furio, et al., 1983 
CapillaryOV-10160.671.Chien, Furio, et al., 1983 
CapillaryOV-10170.672.Chien, Furio, et al., 1983 
CapillaryOV-10180.673.Chien, Furio, et al., 1983 
CapillaryOV-330.669.3Chien, Furio, et al., 1983, 2 
CapillaryOV-340.670.2Chien, Furio, et al., 1983, 2 
CapillaryOV-350.671.1Chien, Furio, et al., 1983, 2 
CapillaryOV-360.672.1Chien, Furio, et al., 1983, 2 
CapillaryOV-370.673.1Chien, Furio, et al., 1983, 2 
CapillaryOV-380.674.2Chien, Furio, et al., 1983, 2 
CapillaryDB-160.671.1Lubeck and Sutton, 1983Column length: 60. m; Column diameter: 0.264 mm
CapillaryDB-160.671.2Lubeck and Sutton, 198360. m/0.259 mm/1. «mu»m
CapillaryOV-150.670.Anders, Scheller, et al., 1982Column length: 55. m; Column diameter: 0.21 mm
CapillaryOV-10150.670.Johansen and Ettre, 1982100. m/0.27 mm/0.20 «mu»m
CapillaryOV-10150.670.Johansen and Ettre, 198255. m/0.27 mm/0.9 «mu»m
CapillaryOV-150.671.Johansen and Ettre, 198217.5 m/0.2 mm/0.15 «mu»m
CapillarySE-3050.670.Johansen and Ettre, 198217.5 m/0.2 mm/0.15 «mu»m
CapillarySF-9650.669.Johansen and Ettre, 198291.4 m/0.31 mm/0.20 «mu»m
CapillaryOV-130.668.3Chien, Kopecni, et al., 1981H2
CapillaryOV-140.669.6Chien, Kopecni, et al., 1981H2
CapillaryOV-150.671.Chien, Kopecni, et al., 1981H2
CapillaryOV-160.672.4Chien, Kopecni, et al., 1981H2
CapillaryOV-170.673.9Chien, Kopecni, et al., 1981H2
CapillaryOV-180.675.5Chien, Kopecni, et al., 1981H2
CapillarySE-3030.669.6Chien, Kopecni, et al., 1981H2
CapillarySE-3040.670.Chien, Kopecni, et al., 1981H2
CapillarySE-3050.670.1Chien, Kopecni, et al., 1981H2
CapillarySE-3060.670.3Chien, Kopecni, et al., 1981H2
CapillarySE-3070.670.5Chien, Kopecni, et al., 1981H2
CapillarySE-3080.670.8Chien, Kopecni, et al., 1981H2
CapillaryOV-160.665.Nijs and Jacobs, 1981He; Column length: 150. m; Column diameter: 0.50 mm
PackedTriacontane70.673.Castello and D'Amato, 1979He, Chromosorb W AW (60-80 mesh); Column length: 3. m
PackedTriacontane80.673.Castello and D'Amato, 1979He, Chromosorb W AW (60-80 mesh); Column length: 3. m
PackedSqualane70.674.Castello and D'Amato, 1979He, Chromosorb W AW (60-80 mesh); Column length: 3. m
PackedSqualane80.674.Castello and D'Amato, 1979He, Chromosorb W AW (60-80 mesh); Column length: 3. m
PackedOV-180.670.Dimov and Papazova, 1979Chromosorb W AW DMCS (80-100 mesh); Column length: 4. m
CapillarySqualane60.672.Chretien and Dubois, 1976 
CapillarySqualane100.673.4Lulova, 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
CapillarySqualane100.673.2Lulova, Leont'eva, et al., 1976He; Column length: 120. m; Column diameter: 0.25 mm
PackedApolane70.674.3Riedo, Fritz, et al., 1976He, Chromosorb; Column length: 2.4 m
CapillarySqualane50.672.Rijks and Cramers, 1974N2; Column length: 100. m; Column diameter: 0.25 mm
CapillarySqualane70.673.Rijks and Cramers, 1974N2; Column length: 100. m; Column diameter: 0.25 mm
PackedSF-96100.674.85Castello, Berg, et al., 1973Chromosorb P(DMCS); Column length: 4. m
PackedSF-96110.676.1Castello, Berg, et al., 1973Chromosorb P(DMCS); Column length: 4. m
PackedSF-96120.677.29Castello, Berg, et al., 1973Chromosorb P(DMCS); Column length: 4. m
PackedSF-9680.672.45Castello, Berg, et al., 1973Chromosorb P(DMCS); Column length: 4. m
PackedSF-9690.673.81Castello, Berg, et al., 1973Chromosorb P(DMCS); Column length: 4. m
CapillaryOV-10150.670.Pacáková, Hoch, et al., 197325. m/0.25 mm/1.39 «mu»m, N2
CapillaryOV-10160.671.Pacáková, Hoch, et al., 197325. m/0.25 mm/1.39 «mu»m, N2
CapillaryVacuum Grease Oil (VM-4)35.669.Sidorov, Petrova, et al., 1972 
CapillaryVacuum Grease Oil (VM-4)45.670.Sidorov, Petrova, et al., 1972 
CapillaryVacuum Grease Oil (VM-4)50.670.Sidorov, Petrova, et al., 1972 
CapillaryVacuum Grease Oil (VM-4)58.671.Sidorov, Petrova, et al., 1972 
CapillaryVacuum Grease Oil (VM-4)68.672.Sidorov, Petrova, et al., 1972 
CapillarySqualane70.671.9Dimov and Schopov, 1971Column length: 100. m; Column diameter: 0.25 mm
PackedSE-3075.673.Robinson and Odell, 1971N2, Chromosorb W; Column length: 6.1 m
PackedSqualane100.673.Robinson and Odell, 1971N2, Embacel; Column length: 3.0 m
PackedSE-3080.672.Mitra and Saha, 1970N2
PackedSqualane25.670.Mitra and Saha, 1970N2
PackedSqualane80.672.Mitra and Saha, 1970N2
PackedSqualane27.670.Hively and Hinton, 1968He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
PackedSqualane49.672.Hively and Hinton, 1968He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
PackedSqualane67.674.Hively and Hinton, 1968He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
PackedSqualane86.675.Hively and Hinton, 1968He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
PackedSqualane30.669.5Tourres, 1967H2; Column length: 10. m
PackedSqualane50.671.Tourres, 1967H2; Column length: 10. m
CapillarySqualane30.670.Tourres, 1967, 2H2; Column length: 100. m; Column diameter: 0.25 mm
CapillarySqualane50.672.Tourres, 1967, 2H2; Column length: 100. m; Column diameter: 0.25 mm
CapillarySqualane70.674.Tourres, 1967, 2H2; Column length: 100. m; Column diameter: 0.25 mm
PackedSqualane100.673.Evans, 1966Untreated celite; Column length: 1.8 m
PackedSqualane30.670.Evans, 1966Untreated celite; Column length: 1.8 m
PackedSqualane40.671.Evans, 1966Untreated celite; Column length: 1.8 m
PackedSqualane55.672.Evans, 1966Untreated celite; Column length: 1.8 m
PackedSqualane60.671.Evans, 1966Untreated celite; Column length: 1.8 m
PackedSqualane70.673.Evans, 1966Untreated celite; Column length: 1.8 m
PackedSqualane80.672.Evans, 1966Untreated celite; Column length: 1.8 m
PackedSqualane26.670.Zulaïca and Guiochon, 1966Column length: 10. m

Kovats' RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryOV-101661.Hayes and Pitzer, 1982110. m/0.25 mm/0.20 «mu»m, He, 1. K/min; Tstart: 35. C; Tend: 200. C
CapillaryApiezon L668.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-100668.8Haagen-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-1671.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

View large format table.

Column type Active phase I Reference Comment
CapillaryPetrocol DH666.6Censullo, 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-1658.84LECO Corporation, 200330. m/0.25 mm/0.25 «mu»m, 40. C @ 2. min, 10. K/min, 250. C @ 2. min
CapillarySPB-1659.58LECO Corporation, 200330. m/0.25 mm/0.25 «mu»m, 40. C @ 2. min, 10. K/min, 250. C @ 2. min
CapillaryDB-5675.8Xu, van Stee, et al., 200330. m/0.25 mm/1. «mu»m, He, 2.5 K/min; Tstart: 50. C; Tend: 200. C
CapillaryOV-101665.0Yin, Liu, et al., 2001N2, 1. K/min; Column length: 80. m; Column diameter: 0.22 mm; Tstart: 30. C; Tend: 130. C
CapillaryPONA658.5Martos, Saraullo, et al., 199750. m/0.2 mm/0.5 «mu»m, 35. C @ 0.5 min, 1. K/min, 220. C @ 8. min
CapillaryPONA661.7Martos, Saraullo, et al., 199750. m/0.2 mm/0.5 «mu»m, 35. C @ 0.5 min, 1. K/min, 220. C @ 8. min
CapillaryPetrocol DH662.36Subramaniam, Bochniak, et al., 1994100. m/0.25 mm/0.5 «mu»m, He, 1. K/min; Tstart: 30. C; Tend: 220. C
CapillaryPetrocol DH662.41Subramaniam, Bochniak, et al., 1994100. m/0.25 mm/0.5 «mu»m, 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 DH663.White, Hackett, et al., 1992100. m/0.25 mm/0.5 «mu»m, He, 1. K/min; Tstart: 30. C; Tend: 220. C
CapillaryHP-1669.8Bangjie, Xijian, et al., 1987N2, 10. K/min; Column length: 25. m; Column diameter: 0.2 mm; Tstart: 30. C
CapillaryHP-1670.1Bangjie, Xijian, et al., 1987N2, 2. K/min; Column length: 25. m; Column diameter: 0.2 mm; Tstart: 30. C
CapillaryHP-1669.3Bangjie, Xijian, et al., 1987N2, 30. C @ 5. min, 5. K/min; Column length: 25. m; Column diameter: 0.2 mm
CapillaryUltra-1664.78Haynes and Pitzer, 198550. m/0.22 mm/0.33 «mu»m, He, 1. K/min; Tstart: -30. C; Tend: 240. C
CapillaryUltra-1666.38Haynes and Pitzer, 198550. m/0.22 mm/0.33 «mu»m, He, 2. K/min; Tstart: -30. C; Tend: 240. C
CapillaryUltra-1667.28Haynes and Pitzer, 198550. m/0.22 mm/0.33 «mu»m, He, 3. K/min; Tstart: -30. C; Tend: 240. C
CapillaryUltra-2665.13Haynes and Pitzer, 198550. m/0.22 mm/0.33 «mu»m, He, 1. K/min; Tstart: -30. C; Tend: 240. C
CapillaryUltra-2666.68Haynes and Pitzer, 198550. m/0.22 mm/0.33 «mu»m, He, 2. K/min; Tstart: -30. C; Tend: 240. C
CapillaryUltra-2667.50Haynes and Pitzer, 198550. m/0.22 mm/0.33 «mu»m, He, 3. K/min; Tstart: -30. C; Tend: 240. C
CapillaryOV-101661.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
CapillaryMethyl Silicone661.05Hassoun, 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-101665.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-10140.669.Li and Deng, 1998N2; Column length: 51. m; Column diameter: 0.25 mm
CapillaryMethyl Silicone50.672.N/AN2; Column length: 74.6 m; Column diameter: 0.28 mm
CapillaryOV-10150.670.Wu and Lu, 1984, 2 
CapillaryOV-10170.671.Wu and Lu, 1984, 2 
CapillarySqualane100.676.Dimov N., 1976 
CapillarySqualane70.673.Dimov N., 1976 
CapillarySqualane86.663.Vigdergauz and Martynov, 1971He; Column length: 150. m; Column diameter: 0.35 mm
CapillaryApiezon L40. - 190.672.Mann, Mühlstädt, et al., 1967Column length: 2. m
PackedMethyl Silicone50.671.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 CB669.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 DH665.Supelco, 2012100. m/0.25 mm/0.50 «mu»m, Helium, 20. C @ 15. min, 15. K/min, 220. C @ 30. min
CapillaryPONA667.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
CapillaryBP-1668.Health Safety Executive, 200050. m/0.22 mm/0.75 «mu»m, He, 5. K/min; Tstart: 50. C; Tend: 200. C
CapillarySE-54665.Guan, Li, et al., 199560. C @ 2. min, 4. K/min; Column length: 50. m; Column diameter: 0.32 mm; Tend: 200. C
CapillarySF-96671.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 Silicone675.Chen and Feng, 2007Program: not specified
CapillaryMethyl Silicone672.Feng and Mu, 2007Program: not specified
CapillaryMethyl Silicone671.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-101672.Du and Liang, 2003Program: not specified
CapillaryPolydimethyl siloxane672.Junkes, Castanho, et al., 2003Program: not specified
CapillaryPolydimethyl siloxanes665.Yin, Guo, et al., 2001Program: not specified
CapillaryMethyl Silicone672.Zenkevich and Marinichev, 2001Program: not specified
CapillaryMethyl Silicone668.Spieksma, 1999Program: not specified
CapillaryMethyl Silicone672.Zenkevich, 1999Program: not specified
CapillaryOV-1670.Zhu and He, 1999Program: not specified
CapillaryOV-1671.Zhu and He, 1999Program: not specified
CapillarySE-54670.Zhu and He, 1999Program: not specified
CapillarySE-54671.Zhu and He, 1999Program: not specified
CapillaryOV-101665.Skrbic and Cvejanov, 1993Program: not specified
CapillarySE-52667.van Langenhove and Schamp, 1986Column length: 100. m; Column diameter: 0.50 mm; Program: not specified
CapillarySqualane667.Petrov, 1984Program: not specified
CapillaryOV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.670.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified
PackedSE-30673.Robinson and Odell, 1971N2, Chromosorb W; Column length: 6.1 m; Program: 50C910min) => 20C/min => 90(6min) => 10C/min => 150C(hold)
PackedSqualane680.Robinson and Odell, 1971N2, Embacel; Column length: 3.0 m; Program: 25C(5min) => 2C/min => 35 => 4C/min => 95C(hold)
PackedSE-30673.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)
PackedSqualane680.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-10668.Girard and Durance, 200060. m/0.25 mm/0.25 «mu»m, He, 35. C @ 10. min, 4. K/min; Tend: 200. C

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
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Davies and Gilbert, 1941
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Finke, Messerly, et al., 1976
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Brooks, Cleaton, et al., 1937
Brooks, D.B.; Cleaton, R.B.; Carter, F.R., Paraffin Hydrocarbons Isolated from Crude Synthetic Isooctane (2,2,4-Trimethylpentane), J. Res. Natl. Bur. Stand. (U. S.), 1937, 19, 319. [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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Lopes, Nunes, et al., 1975
Lopes, M.T.R.; Nunes, M.F.T.; Florencio, M.H.F.S.; Mota, M.M.G.; Fernandez, M.T.N., Heats of hydrogenation in solution. I. Calorimeter for semimicro determinations, Rev. Port. Quim., 1975, 15, 129-132. [all data]

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

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]

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Skrbic, 1997
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Cha and Lee, 1994
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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]

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Skrbic and Cvejanov, 1992
Skrbic, B.D.; Cvejanov, J.Dj., Unified retention indices of hydrocarbons on BP-1 dimethylsiloxane stationary phase, Chromatographia, 1992, 34, 1/2, 83-84, https://doi.org/10.1007/BF02290465 . [all data]

Guan, Kiraly, et al., 1989
Guan, Y.; Kiraly, J.; Rijks, J.A., Interactive retention index database for compound identification in temperature-programmed capillary gas chromatography, J. Chromatogr., 1989, 472, 129-143, https://doi.org/10.1016/S0021-9673(00)94101-3 . [all data]

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
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Stoyanov and Dimov, 1987
Stoyanov, E.; Dimov, N., Precalculation of the optimum column temperature for gas chromatographic separation of petroleum fractions, Anal. Chim. Acta., 1987, 201, 207-216, https://doi.org/10.1016/S0003-2670(00)85338-6 . [all data]

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

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]

Chien, Furio, et al., 1983, 2
Chien, C.-F.; Furio, D.L.; Kopecni, M.M.; Laub, R.J., Specific retention volumes and retention indices of selected hydrocarbon solutes with OV-3, OV-7, OV-11, OV-17, OV-22, and OV-25 polymethylphenylsiloxane solvents, J. Hi. Res. Chromatogr., 1983, 6, 12, 669-679, https://doi.org/10.1002/jhrc.1240061207 . [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]

Chien, Kopecni, et al., 1981
Chien, C.-F.; Kopecni, M.M.; Laub, R.J., Specific Retention Volumes and Retention Indices of Selected Hydrocarbon Solutes with OV-1 and SE-30 Polydimethylsiloxane Solvents, J. Hi. Res. Chromatogr. Chromatogr. Comm., 1981, 4, 10, 539-543, https://doi.org/10.1002/jhrc.1240041017 . [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]

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

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

Chretien and Dubois, 1976
Chretien, J.R.; Dubois, J.-E., New Perspectives in the Prediction of Kovats Indices, J. Chromatogr., 1976, 126, 171-189, https://doi.org/10.1016/S0021-9673(01)84071-1 . [all data]

Lulova, Leont'eva, et al., 1976
Lulova, N.I.; Leont'eva, S.A.; Timofeeva, A.N., Gas-chromatographic method of determination of individual hydrocarbons in catalytic cracking gasolines in Proceedings of All-Union Research Institute on Oil Processes. Vol.18, All-Union Research Institute on Oil Processes, Moscow, 1976, 30-53. [all data]

Riedo, Fritz, et al., 1976
Riedo, F.; Fritz, D.; Tarján, G.; Kováts, E.Sz., A tailor-made C87 hydrocarbon as a possible non-polar standard stationary phase for gas chromatography, J. Chromatogr., 1976, 126, 63-83, https://doi.org/10.1016/S0021-9673(01)84063-2 . [all data]

Rijks and Cramers, 1974
Rijks, J.A.; Cramers, C.A., High precision capillary gas chromatography of hydrocarbons, Chromatographia, 1974, 7, 3, 99-106, https://doi.org/10.1007/BF02269819 . [all data]

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
Pacáková, V.; Hoch, K.; Smolková, E., The Effect of Instrumentation on the Precision of Retention Indexes, Chromatographia, 1973, 6, 7, 320-324, https://doi.org/10.1007/BF02269334 . [all data]

Sidorov, Petrova, et al., 1972
Sidorov, R.I.; Petrova, V.I.; Ivanova, M.P., Qualitative analysis of wide-boiling fraction C5-C10 with capillary chromatography in Processes in chromatographic columns. Vol.17, 1972, 14-25. [all data]

Dimov and Schopov, 1971
Dimov, N.; Schopov, D., Empirische korrektion der physikalisch-chemischen retentionsindexe von kohlenwasserstoffen auf squalan, J. Chromatogr., 1971, 63, 223-228, https://doi.org/10.1016/S0021-9673(01)85634-X . [all data]

Robinson and Odell, 1971
Robinson, P.G.; Odell, A.L., A system of standard retention indices and its uses. The characterisation of stationary phases and the prediction of retention indices, J. Chromatogr., 1971, 57, 1-10, https://doi.org/10.1016/0021-9673(71)80001-8 . [all data]

Mitra and Saha, 1970
Mitra, G.D.; Saha, N.C., Determination of Retention Indices of Saturated Hydrocarbons by Graphical Methods, J. Chromatogr. Sci., 1970, 8, 2, 95-102, https://doi.org/10.1093/chromsci/8.2.95 . [all data]

Hively and Hinton, 1968
Hively, R.A.; Hinton, R.E., Variation of the retention index with temperature on squalane substrates, J. Gas Chromatogr., 1968, 6, 4, 203-217, https://doi.org/10.1093/chromsci/6.4.203 . [all data]

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

Tourres, 1967, 2
Tourres, D.A., Structure moléculaire et rétention en chromatographie en phase gazeuse. Influence de la température sur l'indice de rétention d'alcanes isomères, J. Chromatogr., 1967, 30, 357-377, https://doi.org/10.1016/S0021-9673(00)84168-0 . [all data]

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

Zulaïca and Guiochon, 1966
Zulaïca, J.; Guiochon, G., Analyse des hauts polymères par chromatographie en phase gazeuse de leurs produits de pyrolyse. II. Application à quelques hydrocarbures macromoléculaires purs, Bull. Soc. Chim. Fr., 1966, 4, 1351-1363. [all data]

Hayes and Pitzer, 1982
Hayes, P.C., Jr.; Pitzer, E.W., Characterizing petroleum- and shale-derived jet fuel distillates via temperature-programmed Kováts indices, J. Chromatogr., 1982, 253, 179-198, https://doi.org/10.1016/S0021-9673(01)88376-X . [all data]

Louis, 1971
Louis, R., Kovats-index-tafeln zur gaschromatographischen analyse von kohlenwasserstoffgemischen, Erdoel Kohle Erdgas Petrochem., 1971, 24, 2, 88-94. [all data]

Haagen-Smit Laboratory, 1997
Haagen-Smit Laboratory, Procedure for the detailed hydrocarbon analysis of gasolines by single column high efficiency (capillary) column gas chromatography, SOP NO. MLD 118, Revision No. 1.1, California Environmental Protection Agency, Air Resources Board, El Monte, California, 1997, 22. [all data]

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]

Censullo, Jones, et al., 2003
Censullo, A.C.; Jones, D.R.; Wills, M.T., Speciation of the volatile organic compounds (VOCs) in solventborne aerosol coatings by solid phase microextraction-gas chromatography, J. Coat. Technol., 2003, 75, 936, 47-53, https://doi.org/10.1007/BF02697922 . [all data]

LECO Corporation, 2003
LECO Corporation, Determination of hydrocarbon components in petroleum naphthas, 2003, retrieved from http://www.leco.org/customersupport/apps/separationscience/-190.pdf. [all data]

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Notes

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