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Pentane, 2,2-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.
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow

Quantity Value Units Method Reference Comment
Deltafgas-206.2 ± 1.3kJ/molCcbProsen and Rossini, 1945ALS
Deltafgas-209.5kJ/molN/ADavies and Gilbert, 1941Value computed using «DELTA»fHliquid° value of -242.0±1.0 kj/mol from Davies and Gilbert, 1941 and «DELTA»vapH° value of 32.5 kj/mol from Prosen and Rossini, 1945.; DRB
Quantity Value Units Method Reference Comment
gas392.88J/mol*KN/AHuffman H.M., 1961GT

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
116.86200.Scott D.W., 1974Recommended values were obtained from the consistent correlation scheme for alkanes [ Scott D.W., 1974, 2, Scott D.W., 1974]. This approach gives a good agreement with experimental data available for alkanes. However, large uncertainties could be expected at high temperatures.; GT
153.93273.15
166.7 ± 0.4298.15
167.65300.
216.77400.
259.78500.
296.65600.
328.03700.
355.22800.
379.07900.
399.991000.
418.401100.
434.721200.
447.691300.
464.421400.
476.981500.

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-238.7 ± 1.3kJ/molCcbProsen and Rossini, 1945ALS
Deltafliquid-242. ± 1.kJ/molCcbDavies and Gilbert, 1941ALS
Quantity Value Units Method Reference Comment
Deltacliquid-4802.6 ± 1.3kJ/molCcbProsen and Rossini, 1945Corresponding «DELTA»fliquid = -238.6 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-4798. ± 1.kJ/molCcbDavies and Gilbert, 1941Corresponding «DELTA»fliquid = -242.8 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
liquid300.29J/mol*KN/AHuffman, Gross, et al., 1961DH
liquid284.9J/mol*KN/AHuffman, Parks, et al., 1930Extrapolation below 90 K, 64.10 J/mol*K.; DH

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
221.12298.15Huffman, Gross, et al., 1961T = 10 to 300 K.; DH
217.1294.1Huffman, Parks, et al., 1930T = 92 to 294 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
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
Tboil352.3 ± 0.3KAVGN/AAverage of 48 out of 53 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus149. ± 2.KAVGN/AAverage of 20 out of 22 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple149.2 ± 0.9KAVGN/AAverage of 7 values; Individual data points
Quantity Value Units Method Reference Comment
Tc520.5 ± 0.5KN/ADaubert, 1996 
Tc520.44KN/AMcMicking and Kay, 1965Uncertainty assigned by TRC = 0.4 K; TRC
Tc520.85KN/AEdgar and Calingaert, 1929Uncertainty assigned by TRC = 0.5 K; measured by Keys and Kleinschmidt; TRC
Quantity Value Units Method Reference Comment
Pc27.7 ± 0.5barN/ADaubert, 1996 
Pc27.730barN/AMcMicking and Kay, 1965Uncertainty assigned by TRC = 0.4053 bar; TRC
Pc28.7763barN/AEdgar and Calingaert, 1929Uncertainty assigned by TRC = 0.5066 bar; measured by Keys and Kleinschmidt; TRC
Quantity Value Units Method Reference Comment
Vc0.416l/molN/ADaubert, 1996 
Quantity Value Units Method Reference Comment
rhoc2.41 ± 0.05mol/lN/ADaubert, 1996 
rhoc2.41mol/lN/AMcMicking and Kay, 1965Uncertainty assigned by TRC = 0.05 mol/l; TRC
Quantity Value Units Method Reference Comment
Deltavap32.56kJ/molN/AMajer and Svoboda, 1985 
Deltavap32.4 ± 0.1kJ/molCSvoboda, 1998AC
Deltavap32.4 ± 0.1kJ/molCOsborne and Ginnings, 1947AC
Deltavap32.2 ± 0.1kJ/molCOsborne and Ginnings, 1947AC
Deltavap32.42kJ/molCOsborne and Ginnings, 1947, 2ALS

Reduced pressure boiling point

Tboil (K) Pressure (bar) Reference Comment
351.20.991Aldrich Chemical Company Inc., 1990BS

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
29.23352.4N/AMajer and Svoboda, 1985 
31.8 ± 0.1308.CSvoboda, 1998AC
31.4 ± 0.1315.CSvoboda, 1998AC
31.0 ± 0.1323.CSvoboda, 1998AC
30.5 ± 0.1330.CSvoboda, 1998AC
30.1 ± 0.1338.CSvoboda, 1998AC
29.4 ± 0.1348.CSvoboda, 1998AC
28.8 ± 0.1358.CSvoboda, 1998AC
28.1 ± 0.1368.CSvoboda, 1998AC
33.2292.AStephenson and Malanowski, 1987Based on data from 277. - 354. K.; AC
30.1368.AStephenson and Malanowski, 1987Based on data from 353. - 483. K.; AC
32.8300.N/AForziati, Norris, et al., 1949Based on data from 285. - 353. K.; AC
32.6303.MMWillingham, Taylor, et al., 1945Based on data from 288. - 353. K.; AC

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
288.47 - 353.203.939991190.298-49.807Williamham, Taylor, et al., 1945

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Reference Comment
5.824149.43Huffman, Gross, et al., 1961DH
5.86148.1Acree, 1991AC
5.862148.1Huffman, Parks, et al., 1930DH

Entropy of fusion

DeltafusS (J/mol*K) Temperature (K) Reference Comment
38.98149.43Huffman, Gross, et al., 1961DH
39.58148.1Huffman, Parks, et al., 1930DH

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

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

By formula: H2 + C7H14 = C7H16

Quantity Value Units Method Reference Comment
Deltar-122.6 ± 0.6kJ/molChydRogers and Dejroongruang, 1989liquid phase; solvent: Cyclohexane
Deltar-122.5 ± 0.42kJ/molChydDolliver, Gresham, et al., 1937gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -123.56 ± 0.63 kJ/mol; At 355 °K

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

By formula: H2 + C7H14 = C7H16

Quantity Value Units Method Reference Comment
Deltar-114.2 ± 0.4kJ/molChydRogers and Dejroongruang, 1989liquid phase; solvent: Cyclohexane
Deltar-111.kJ/molChydTurner, Nettleton, et al., 1958liquid phase; solvent: Acetic acid

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

By formula: H2 + C7H14 = C7H16

Quantity Value Units Method Reference Comment
Deltar-130.4 ± 0.4kJ/molChydRogers and Dejroongruang, 1989liquid phase; solvent: Cyclohexane
Deltar-129.kJ/molChydTurner, Nettleton, et al., 1958liquid phase; solvent: Acetic acid

Heptane = Pentane, 2,2-dimethyl-

By formula: C7H16 = C7H16

Quantity Value Units Method Reference Comment
Deltar-14.3 ± 1.2kJ/molCcbProsen and Rossini, 1941liquid phase; Heat of Isomerization
Deltar-18.6 ± 1.3kJ/molCcbProsen and Rossini, 1941gas phase; Heat of Isomerization

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
0.00031 QN/A missing citation give several references for the Henry's law constants but don't assign them to specific species.
0.00032 LN/A 

IR Spectrum

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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: 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

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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 1042

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-10140.622.4Chen, Liang, et al., 2001He; Column length: 50. m; Column diameter: 0.25 mm
CapillaryOV-10160.624.1Chen, Liang, et al., 2001He; Column length: 50. m; Column diameter: 0.25 mm
PackedC78, Branched paraffin130.627.7Dallos, Sisak, et al., 2000He; Column length: 3.3 m
CapillarySqualane100.626.Heinzen, Soares, et al., 1999 
CapillaryOV-1010.621.Skrbic, 1997 
PackedSqualane78.5628.0Zhang and Lu, 1996 
CapillaryCP Sil 260.621.8Estel, Mohnke, et al., 1995100. m/0.25 mm/0.25 «mu»m
CapillaryDB-160.625.7Krupcik, Skacani, et al., 1994H2; Phase thickness: 0.25 «mu»m
CapillaryPONA60.625.6Krupcik, Skacani, et al., 1994H2; Phase thickness: 0.5 «mu»m
CapillaryPONA60.625.7Krupcik, Skacani, et al., 1994H2; Phase thickness: 0.5 «mu»m
CapillaryDB-160.625.6Krupcik, Skacani, et al., 1994H2; Phase thickness: 1. «mu»m
CapillaryOV-10160.625.7Krupcik, Skacani, et al., 1994H2; Phase thickness: 0.2 «mu»m
PackedC78, Branched paraffin130.627.9Reddy, Dutoit, et al., 1992Chromosorb G HP; Column length: 3.3 m
CapillaryHP-160.625.Zhang, Li, et al., 1992N2; Column length: 25. m; Column diameter: 0.20 mm
CapillaryHP-160.626.Zhang, Li, et al., 1992N2; Column length: 25. m; Column diameter: 0.20 mm
PackedApolane130.628.Dutoit, 1991Column length: 3.7 m
CapillaryOV-145.624.8Guan, Kiraly, et al., 198925. m/0.31 mm/0.52 «mu»m, He
CapillaryOV-165.628.1Guan, Kiraly, et al., 198925. m/0.31 mm/0.52 «mu»m, He
CapillarySqualane50.625.6Guan, Kiraly, et al., 198950. m/0.22 mm/0.21 «mu»m, He
CapillarySqualane70.626.9Guan, Kiraly, et al., 198950. m/0.22 mm/0.21 «mu»m, He
CapillaryOV-10140.626.Laub and Purnell, 1988 
CapillaryOV-10160.626.Laub and Purnell, 1988 
CapillaryOV-10180.627.Laub and Purnell, 1988 
CapillarySqualane50.625.6Lunskii and Paizanskaya, 1988He; Column length: 50. m; Column diameter: 0.22 mm
CapillarySqualane70.626.9Lunskii and Paizanskaya, 1988He; Column length: 50. m; Column diameter: 0.22 mm
CapillaryOV-10140.623.8Boneva and Dimov, 1986100. m/0.27 mm/0.9 «mu»m
CapillaryOV-10150.624.8Boneva and Dimov, 1986100. m/0.27 mm/0.9 «mu»m
CapillaryOV-10160.625.1Boneva and Dimov, 1986100. m/0.27 mm/0.9 «mu»m
CapillaryOV-10170.626.0Boneva and Dimov, 1986100. m/0.27 mm/0.9 «mu»m
CapillaryOV-10130.625.Chien, Furio, et al., 1983 
CapillaryOV-10140.626.Chien, Furio, et al., 1983 
CapillaryOV-10150.626.Chien, Furio, et al., 1983 
CapillaryOV-10160.626.Chien, Furio, et al., 1983 
CapillaryOV-10170.627.Chien, Furio, et al., 1983 
CapillaryOV-10180.627.Chien, Furio, et al., 1983 
CapillaryOV-330.622.7Chien, Furio, et al., 1983, 2 
CapillaryOV-340.623.2Chien, Furio, et al., 1983, 2 
CapillaryOV-350.623.8Chien, Furio, et al., 1983, 2 
CapillaryOV-360.624.4Chien, Furio, et al., 1983, 2 
CapillaryOV-370.625.1Chien, Furio, et al., 1983, 2 
CapillaryOV-380.625.8Chien, Furio, et al., 1983, 2 
CapillaryDB-160.625.7Lubeck and Sutton, 1983Column length: 60. m; Column diameter: 0.264 mm
CapillaryDB-160.625.6Lubeck and Sutton, 198360. m/0.259 mm/1. «mu»m
CapillaryOV-150.625.Anders, Scheller, et al., 1982Column length: 55. m; Column diameter: 0.21 mm
CapillaryOV-10150.625.Johansen and Ettre, 1982100. m/0.27 mm/0.20 «mu»m
CapillaryOV-10150.625.Johansen and Ettre, 198255. m/0.27 mm/0.9 «mu»m
CapillaryOV-150.626.Johansen and Ettre, 198217.5 m/0.2 mm/0.15 «mu»m
CapillarySE-3050.626.Johansen and Ettre, 198217.5 m/0.2 mm/0.15 «mu»m
CapillarySF-9650.624.Johansen and Ettre, 198291.4 m/0.31 mm/0.20 «mu»m
CapillaryOV-130.623.4Chien, Kopecni, et al., 1981H2
CapillaryOV-140.624.6Chien, Kopecni, et al., 1981H2
CapillaryOV-150.625.7Chien, Kopecni, et al., 1981H2
CapillaryOV-160.627.Chien, Kopecni, et al., 1981H2
CapillaryOV-170.628.3Chien, Kopecni, et al., 1981H2
CapillaryOV-180.629.7Chien, Kopecni, et al., 1981H2
CapillarySE-3030.627.2Chien, Kopecni, et al., 1981H2
CapillarySE-3040.626.5Chien, Kopecni, et al., 1981H2
CapillarySE-3050.625.6Chien, Kopecni, et al., 1981H2
CapillarySE-3060.625.Chien, Kopecni, et al., 1981H2
CapillarySE-3070.624.1Chien, Kopecni, et al., 1981H2
CapillarySE-3080.623.1Chien, Kopecni, et al., 1981H2
CapillarySqualane50.625.Mitra, 1981N2; Column length: 100. m; Column diameter: 0.25 mm
CapillarySqualane50.626.Mitra, 1981N2; Column length: 100. m; Column diameter: 0.25 mm
CapillaryOV-160.624.Nijs and Jacobs, 1981He; Column length: 150. m; Column diameter: 0.50 mm
PackedTriacontane70.625.Castello and D'Amato, 1979He, Chromosorb W AW (60-80 mesh); Column length: 3. m
PackedTriacontane80.626.Castello and D'Amato, 1979He, Chromosorb W AW (60-80 mesh); Column length: 3. m
PackedSqualane70.627.Castello and D'Amato, 1979He, Chromosorb W AW (60-80 mesh); Column length: 3. m
PackedSqualane80.628.Castello and D'Amato, 1979He, Chromosorb W AW (60-80 mesh); Column length: 3. m
PackedOV-180.627.Dimov and Papazova, 1979Chromosorb W AW DMCS (80-100 mesh); Column length: 4. m
PackedSE-3080.626.Dimov and Papazova, 1979Chromosorb W AW DMCS (80-100 mesh); Column length: 4. m
CapillarySqualane60.626.Chretien and Dubois, 1976 
PackedApolane70.624.2Riedo, Fritz, et al., 1976He, Chromosorb; Column length: 2.4 m
CapillarySqualane50.625.Rijks, van den Berg, et al., 1974 
CapillarySqualane50.625.Rijks, van den Berg, et al., 1974 
CapillarySqualane50.626.Rijks, van den Berg, et al., 1974 
CapillarySqualane50.626.Rijks, van den Berg, et al., 1974 
CapillarySqualane70.627.Rijks, van den Berg, et al., 1974 
CapillarySqualane50.626.Rijks and Cramers, 1974N2; Column length: 100. m; Column diameter: 0.25 mm
CapillarySqualane70.627.Rijks and Cramers, 1974N2; Column length: 100. m; Column diameter: 0.25 mm
PackedSF-96100.629.7Castello, Berg, et al., 1973Chromosorb P(DMCS); Column length: 4. m
PackedSF-96110.630.4Castello, Berg, et al., 1973Chromosorb P(DMCS); Column length: 4. m
PackedSF-96120.631.7Castello, Berg, et al., 1973Chromosorb P(DMCS); Column length: 4. m
PackedSF-9680.627.79Castello, Berg, et al., 1973Chromosorb P(DMCS); Column length: 4. m
PackedSF-9690.628.51Castello, Berg, et al., 1973Chromosorb P(DMCS); Column length: 4. m
CapillaryVacuum Grease Oil (VM-4)35.621.Sidorov, Petrova, et al., 1972 
CapillaryVacuum Grease Oil (VM-4)45.622.Sidorov, Petrova, et al., 1972 
CapillaryVacuum Grease Oil (VM-4)50.623.Sidorov, Petrova, et al., 1972 
CapillaryVacuum Grease Oil (VM-4)58.623.Sidorov, Petrova, et al., 1972 
CapillaryVacuum Grease Oil (VM-4)68.624.Sidorov, Petrova, et al., 1972 
CapillarySqualane70.625.8Dimov and Schopov, 1971Column length: 100. m; Column diameter: 0.25 mm
PackedSE-3080.622.Mitra and Saha, 1970N2
PackedSqualane25.625.Mitra and Saha, 1970N2
PackedSqualane80.626.Mitra and Saha, 1970N2
CapillarySqualane40.626.Matukuma, 1969N2; Column length: 91.4 m; Column diameter: 0.25 mm
CapillarySqualane40.673.Matukuma, 1969N2; Column length: 91.4 m; Column diameter: 0.25 mm
PackedSqualane27.624.Hively and Hinton, 1968He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
PackedSqualane49.626.Hively and Hinton, 1968He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
PackedSqualane67.627.Hively and Hinton, 1968He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
PackedSqualane86.628.Hively and Hinton, 1968He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
PackedSqualane30.624.5Tourres, 1967H2; Column length: 10. m
PackedSqualane50.626.Tourres, 1967H2; Column length: 10. m
CapillarySqualane30.624.Tourres, 1967, 2H2; Column length: 100. m; Column diameter: 0.25 mm
CapillarySqualane50.625.Tourres, 1967, 2H2; Column length: 100. m; Column diameter: 0.25 mm
CapillarySqualane70.627.Tourres, 1967, 2H2; Column length: 100. m; Column diameter: 0.25 mm
PackedSqualane30.625.Evans, 1966Untreated celite; Column length: 1.8 m
PackedSqualane40.625.Evans, 1966Untreated celite; Column length: 1.8 m
PackedSqualane55.626.Evans, 1966Untreated celite; Column length: 1.8 m
PackedSqualane70.626.Evans, 1966Untreated celite; Column length: 1.8 m
PackedSqualane26.625.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
CapillaryOV-101618.Hayes and Pitzer, 1982110. m/0.25 mm/0.20 «mu»m, He, 1. K/min; Tstart: 35. C; Tend: 200. C
CapillaryApiezon L620.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-100624.25Haagen-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-1628.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
CapillaryPetrocol DH621.4Censullo, 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-1615.96LECO Corporation, 200330. m/0.25 mm/0.25 «mu»m, 40. C @ 2. min, 10. K/min, 250. C @ 2. min
CapillarySPB-1616.70LECO Corporation, 200330. m/0.25 mm/0.25 «mu»m, 40. C @ 2. min, 10. K/min, 250. C @ 2. min
CapillaryDB-5618.2Xu, van Stee, et al., 200330. m/0.25 mm/1. «mu»m, He, 2.5 K/min; Tstart: 50. C; Tend: 200. C
CapillaryOV-101620.5Yin, Liu, et al., 2001N2, 1. K/min; Column length: 80. m; Column diameter: 0.22 mm; Tstart: 30. C; Tend: 130. C
CapillaryPetrocol DH618.59Subramaniam, Bochniak, et al., 1994100. m/0.25 mm/0.5 «mu»m, He, 1. K/min; Tstart: 30. C; Tend: 220. C
CapillaryPetrocol DH618.60Subramaniam, Bochniak, et al., 1994100. m/0.25 mm/0.5 «mu»m, He, 1. K/min; Tstart: 30. C; Tend: 220. C
CapillaryPetrocol DH619.White, Hackett, et al., 1992100. m/0.25 mm/0.5 «mu»m, He, 1. K/min; Tstart: 30. C; Tend: 220. C
CapillaryOV-101618.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
CapillaryOV-101620.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-10140.624.Li and Deng, 1998N2; Column length: 51. m; Column diameter: 0.25 mm
CapillaryMethyl Silicone50.626.N/AN2; Column length: 74.6 m; Column diameter: 0.28 mm
CapillaryOV-10150.624.Wu and Lu, 1984, 2 
CapillaryOV-10170.626.Wu and Lu, 1984, 2 
CapillarySqualane100.629.Dimov N., 1976 
CapillarySqualane70.627.Dimov N., 1976 
CapillarySqualane60.626.Lehmkuhl, Olbrysch, et al., 1975Nitrogen; Column length: 100. m
CapillarySqualane86.619.Vigdergauz and Martynov, 1971He; Column length: 150. m; Column diameter: 0.35 mm
CapillaryApiezon L40. - 190.625.Mann, Mühlstädt, et al., 1967Column length: 2. m
PackedMethyl Silicone50.622.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 CB623.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
CapillaryPolydimethyl siloxane: CP-Sil 5 CB628.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 DH619.Supelco, 2012100. m/0.25 mm/0.50 «mu»m, Helium, 20. C @ 15. min, 15. K/min, 220. C @ 30. min
CapillaryOV-101626.Orav, Kailas, et al., 199950. m/0.20 mm/0.50 «mu»m, Helium, 30. C @ 6. min, 1. K/min; Tend: 100. C
CapillaryDB-1669.Ciccioli, Cecinato, et al., 199260. m/0.32 mm/1.2 «mu»m, He, 30. C @ 10. min, 3. K/min; Tend: 240. C

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

View large format table.

Column type Active phase I Reference Comment
CapillaryMethyl Silicone628.Chen and Feng, 2007Program: not specified
CapillaryMethyl Silicone659.Feng and Mu, 2007Program: not specified
CapillaryOV-101627.Du and Liang, 2003Program: not specified
CapillaryPolydimethyl siloxane626.Junkes, Castanho, et al., 2003Program: not specified
CapillaryPolydimethyl siloxanes620.Yin, Guo, et al., 2001Program: not specified
CapillaryMethyl Silicone627.Zenkevich and Marinichev, 2001Program: not specified
CapillaryDB-1626.Zhu and Wang, 2001Program: not specified
CapillaryMethyl Silicone623.Spieksma, 1999Program: not specified
CapillaryOV-101621.Skrbic and Cvejanov, 1993Program: not specified
CapillarySqualane622.Petrov, 1984Program: not specified
CapillaryOV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.626.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified
PackedSE-30635.Robinson and Odell, 1971N2, Chromosorb W; Column length: 6.1 m; Program: 50C910min) => 20C/min => 90(6min) => 10C/min => 150C(hold)
PackedSqualane659.Robinson and Odell, 1971N2, Embacel; Column length: 3.0 m; Program: 25C(5min) => 2C/min => 35 => 4C/min => 95C(hold)
PackedSqualane633.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, 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.

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Zhang, Li, et al., 1992
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Dutoit, 1991
Dutoit, J., Gas chromatographic retention behaviour of some solutes on structurally similar polar and non-polar stationary phases, J. Chromatogr., 1991, 555, 1-2, 191-204, https://doi.org/10.1016/S0021-9673(01)87179-X . [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
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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]

Boneva and Dimov, 1986
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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]

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
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Johansen and Ettre, 1982
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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]

Mitra, 1981
Mitra, G.D., Conversion of linear retention indices into logarithmic retention indices, J. Chromatogr., 1981, 211, 2, 239-242, https://doi.org/10.1016/S0021-9673(00)88039-5 . [all data]

Nijs and Jacobs, 1981
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Chretien and Dubois, 1976
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Riedo, Fritz, et al., 1976
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Castello, Berg, et al., 1973
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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
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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]

Evans, 1966
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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
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Hayes and Pitzer, 1981
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Notes

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