Butane, 2-methyl-

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Gas phase thermochemistry data

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

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

Data compiled as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow

Quantity Value Units Method Reference Comment
Δfgas-153.7 ± 0.59kJ/molCcbGood, 1970ALS
Δfgas-154.1 ± 0.96kJ/molCmPilcher and Chadwick, 1967ALS
Δfgas-154.5 ± 0.84kJ/molCcbProsen and Rossini, 1945ALS
Quantity Value Units Method Reference Comment
Δcgas-3528.4 ± 0.92kJ/molCmPilcher and Chadwick, 1967Corresponding Δfgas = -154.1 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Δcgas-3528.6 ± 0.63kJ/molCmKnowlton and Rossini, 1939Corresponding Δfgas = -153.9 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Δcgas-3527.6 ± 3.5kJ/molCcbRoth and Pahlke, 1936Reanalyzed by Cox and Pilcher, 1970, Original value = -3529.0 kJ/mol; Corresponding Δfgas = -155.0 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
84.94200.Scott D.W., 1974Recommended values were obtained from the consistent correlation scheme for alkanes [ Scott D.W., 1974, 2, Scott D.W., 1974]. This approach gives a better agreement with experimental data than the statistical thermodynamics calculations [ Pitzer K.S., 1946, Scott D.W., 1951].; GT
110.37273.15
118.9 ± 0.4298.15
119.50300.
152.88400.
183.26500.
210.04600.
233.05700.
253.13800.
270.70900.
286.191000.
299.571100.
311.291200.
322.171300.
330.541400.
338.901500.

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
125.31 ± 0.37317.20Scott D.W., 1951GT
139.12 ± 0.42358.15
153.64 ± 0.46402.30
168.36 ± 0.51449.20
179.62 ± 0.54487.05

Phase change data

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

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

Data compiled as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny 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
CAL - James S. Chickos, William E. Acree, Jr., Joel F. Liebman, Students of Chem 202 (Introduction to the Literature of Chemistry), University of Missouri -- St. Louis

Quantity Value Units Method Reference Comment
Tboil301.1 ± 0.2KAVGN/AAverage of 67 out of 76 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus113. ± 1.KAVGN/AAverage of 10 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple113.37KN/AGuthrie and Huffman, 1943Uncertainty assigned by TRC = 0.02 K; TRC
Ttriple113.39KN/ASchumann, Aston, et al., 1942Uncertainty assigned by TRC = 0.05 K; TRC
Ttriple112.6KN/AParks, Huffman, et al., 1930Uncertainty assigned by TRC = 0.3 K; TRC
Quantity Value Units Method Reference Comment
Tc461. ± 5.KAVGN/AAverage of 9 values; Individual data points
Quantity Value Units Method Reference Comment
Pc33.8 ± 0.5barN/ADaubert, 1996 
Pc33.81barN/ADas, Reed, et al., 1977Uncertainty assigned by TRC = 0.5066 bar; TRC
Pc34.106barN/AVohra and Kobe, 1959Uncertainty assigned by TRC = 0.1013 bar; TRC
Pc33.355barN/AYoung, 1910Uncertainty assigned by TRC = 0.667 bar; TRC
Pc32.70barN/AAltschul, 1893Uncertainty assigned by TRC = 0.9807 bar; TRC
Quantity Value Units Method Reference Comment
Vc0.306l/molN/ADaubert, 1996 
Quantity Value Units Method Reference Comment
ρc3.27 ± 0.05mol/lN/ADaubert, 1996 
ρc3.247mol/lN/AHolcomb, Magee, et al., 1995Uncertainty assigned by TRC = 0.06 mol/l; TRC
ρc3.27mol/lN/ADas, Reed, et al., 1977Uncertainty assigned by TRC = 0.03 mol/l; TRC
ρc3.27mol/lN/AVohra and Kobe, 1959Uncertainty assigned by TRC = 0.1 mol/l; TRC
ρc3.247mol/lN/AYoung, 1910Uncertainty assigned by TRC = 0.06 mol/l; TRC
Quantity Value Units Method Reference Comment
Δvap25.22kJ/molN/AMajer and Svoboda, 1985 
Δvap24.8kJ/molN/AReid, 1972AC
Δvap24.8 ± 0.1kJ/molVScott, McCullough, et al., 1951flow calorimeter and metal cycling vaporizer; ALS
Δvap25.0kJ/molCSchumann, Aston, et al., 1942, 2AC

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
24.69301.N/AMajer and Svoboda, 1985 
24.832293.95N/ASchumann, Aston, et al., 1942, 2P = 79.15 kPa; DH
26.9270.N/AEwing and Goodwin, 1991Based on data from 255. to 323. K.; AC
28.5231.AStephenson and Malanowski, 1987Based on data from 216. to 323. K.; AC
25.2315.AStephenson and Malanowski, 1987Based on data from 300. to 460. K.; AC
25.2335.AStephenson and Malanowski, 1987Based on data from 320. to 391. K.; AC
24.8400.AStephenson and Malanowski, 1987Based on data from 385. to 416. K.; AC
25.3427.AStephenson and Malanowski, 1987Based on data from 412. to 460. K.; AC
24.4310.N/ADas, Reed, et al., 1977, 2AC
21.5350.N/ADas, Reed, et al., 1977, 2AC
18.0390.N/ADas, Reed, et al., 1977, 2AC
12.9430.N/ADas, Reed, et al., 1977, 2AC
30.2205.N/AStull, 1947Based on data from 190. to 300. K.; AC
26.2295.MMWillingham, Taylor, et al., 1945Based on data from 289. to 301. 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) β Tc (K) Reference Comment
279. to 301.39.020.267460.4Majer and Svoboda, 1985 

Entropy of vaporization

ΔvapS (J/mol*K) Temperature (K) Reference Comment
84.48293.95Schumann, Aston, et al., 1942, 2P; DH

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
190.3 to 300.93.909351018.516-40.081Stull, 1947Coefficents calculated by NIST from author's data.
300.9 to 453.53.971831021.864-43.231Stull, 1947Coefficents calculated by NIST from author's data.
289.44 to 301.743.914571020.012-40.053Williamham, Taylor, et al., 1945 

Enthalpy of fusion

ΔfusH (kJ/mol) Temperature (K) Reference Comment
5.1555113.37Guthrie and Huffman, 1943, 2DH
5.130113.39Schumann, Aston, et al., 1942, 2DH
5.13113.4Domalski and Hearing, 1996AC
5.113112.6Parks, Huffman, et al., 1930, 2DH

Entropy of fusion

ΔfusS (J/mol*K) Temperature (K) Reference Comment
45.48113.37Guthrie and Huffman, 1943, 2DH
45.24113.39Schumann, Aston, et al., 1942, 2DH
45.23113.4Domalski and Hearing, 1996CAL
45.41112.6Parks, Huffman, et al., 1930, 2DH

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, Phase change data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References, Notes

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

Data compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

Hydrogen + 2-Methyl-1-butene = Butane, 2-methyl-

By formula: H2 + C5H10 = C5H12

Quantity Value Units Method Reference Comment
Δr-126.95kJ/molChydDolliver, Gresham, et al., 1937gas phase; At 355 °K
Δr-118.2 ± 0.42kJ/molChydKistiakowsky, Ruhoff, et al., 1936gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -119.2 ± 1.5 kJ/mol; At 355 K

Hydrogen + 1-Butene, 3-methyl- = Butane, 2-methyl-

By formula: H2 + C5H10 = C5H12

Quantity Value Units Method Reference Comment
Δr-126.3 ± 0.3kJ/molChydDolliver, Gresham, et al., 1937gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -126.9 ± 0.3 kJ/mol; At 355 °K

Pentane = Butane, 2-methyl-

By formula: C5H12 = C5H12

Quantity Value Units Method Reference Comment
Δr-7.786kJ/molEqkPines, Kvetinskas, et al., 1945gas phase; Heat of isomerization

Hydrogen + 2-Butene, 2-methyl- = Butane, 2-methyl-

By formula: H2 + C5H10 = C5H12

Quantity Value Units Method Reference Comment
Δr-111.6 ± 0.3kJ/molChydKistiakowsky, Ruhoff, et al., 1936gas phase

Gas phase ion energetics data

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

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

Data evaluated as indicated in comments:
L - Sharon G. Lias

Data compiled as indicated in comments:
LL - Sharon G. Lias and Joel F. Liebman
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Quantity Value Units Method Reference Comment
IE (evaluated)10.32 ± 0.05eVN/AN/AL

Ionization energy determinations

IE (eV) Method Reference Comment
10.21PITraeger, Hudson, et al., 1996T = 0K; LL
10.18ESTLuo and Pacey, 1992LL
10.22PITraeger, 1981LLK
10.3 ± 0.1PEBieri, Burger, et al., 1977LLK
10.50 ± 0.05EIFlesch and Svec, 1973LLK
10.32PEDewar and Worley, 1969RDSH
10.32PIWatanabe, Nakayama, et al., 1962RDSH
10.94PEKimura, Katsumata, et al., 1981Vertical value; LLK
11.0 ± 0.1PEBieri, Burger, et al., 1977Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C3H6+10.66C2H6PITraeger, Hudson, et al., 1996T = 0K; LL
C3H6+10.84 ± 0.025C2H6PISteiner, Giese, et al., 1961RDSH
C3H7+11.06C2H5PITraeger, Hudson, et al., 1996T = 0K; LL
C3H7+11.15 ± 0.05C2H5PISteiner, Giese, et al., 1961RDSH
C4H8+10.72CH4PITraeger, Hudson, et al., 1996T = 0K; LL
C4H8+10.74 ± 0.02CH4PISteiner, Giese, et al., 1961RDSH
C4H9+10.96CH3PITraeger, Hudson, et al., 1996T = 0K; LL
C4H9+10.87CH3PITraeger, 1981LLK
C4H9+11.15 ± 0.07CH3PISteiner, Giese, et al., 1961RDSH

IR Spectrum

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

Data compiled by: Coblentz Society, Inc.

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


Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Gas Chromatography, References, Notes

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

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

Spectrum

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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 D.HENNEBERG, MAX-PLANCK INSTITUTE, MULHEIM, WEST GERMANY
NIST MS number 61287

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Gas Chromatography

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

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

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

Kovats' RI, non-polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
CapillarySqualane100.475.Heinzen, Soares, et al., 1999 
CapillaryCP Sil 260.474.2Estel, Mohnke, et al., 1995100. m/0.25 mm/0.25 μm
CapillaryOV-10140.469.Laub and Purnell, 1988 
CapillaryOV-10160.470.Laub and Purnell, 1988 
CapillaryOV-10180.470.Laub and Purnell, 1988 
CapillarySqualane50.475.8Lunskii and Paizanskaya, 1988He; Column length: 50. m; Column diameter: 0.22 mm
CapillarySqualane70.475.4Lunskii and Paizanskaya, 1988He; Column length: 50. m; Column diameter: 0.22 mm
CapillarySqualane50.474.9Papazova, Milina, et al., 1988Column length: 50. m; Column diameter: 0.25 mm
CapillaryOV-120.468.Nijs and Jacobs, 1981He; Column length: 150. m; Column diameter: 0.50 mm
CapillarySqualane50.474.9Bajus, Veselý, et al., 1979Column length: 100. m; Column diameter: 0.25 mm
CapillarySqualane70.474.5Bajus, Veselý, et al., 1979Column length: 100. m; Column diameter: 0.25 mm
CapillarySqualane50.475.4Bajus, Veselý, et al., 1979, 2Column length: 100. m; Column diameter: 0.25 mm
CapillarySqualane70.475.Bajus, Veselý, et al., 1979, 2Column length: 100. m; Column diameter: 0.25 mm
CapillarySqualane60.475.Chretien and Dubois, 1976 
CapillarySqualane100.475.6Lulova, Leont'eva, et al., 1976He; Column length: 120. m; Column diameter: 0.25 mm
CapillarySqualane50.475.Rijks and Cramers, 1974N2; Column length: 100. m; Column diameter: 0.25 mm
CapillarySqualane70.476.Rijks and Cramers, 1974N2; Column length: 100. m; Column diameter: 0.25 mm
CapillarySqualane27.474.37Schomburg and Dielmann, 1973Column length: 100. m; Column diameter: 0.25 mm
CapillaryVacuum Grease Oil (VM-4)35.470.Sidorov, Petrova, et al., 1972 
CapillaryVacuum Grease Oil (VM-4)45.470.Sidorov, Petrova, et al., 1972 
CapillaryVacuum Grease Oil (VM-4)50.471.Sidorov, Petrova, et al., 1972 
CapillaryVacuum Grease Oil (VM-4)58.471.Sidorov, Petrova, et al., 1972 
CapillaryVacuum Grease Oil (VM-4)68.472.Sidorov, Petrova, et al., 1972 
PackedSqualane100.477.Robinson and Odell, 1971N2, Embacel; Column length: 3.0 m
CapillarySqualane40.476.Matukuma, 1969N2; Column length: 91.4 m; Column diameter: 0.25 mm
PackedSqualane27.474.Hively and Hinton, 1968He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
PackedSqualane49.475.Hively and Hinton, 1968He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
PackedSqualane67.476.Hively and Hinton, 1968He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
PackedSqualane86.476.Hively and Hinton, 1968He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
PackedSqualane30.474.Tourres, 1967H2; Column length: 10. m
PackedSqualane50.474.Tourres, 1967H2; Column length: 10. m
CapillarySqualane30.474.Tourres, 1967, 2H2; Column length: 100. m; Column diameter: 0.25 mm
CapillarySqualane50.474.Tourres, 1967, 2H2; Column length: 100. m; Column diameter: 0.25 mm
CapillarySqualane70.474.Tourres, 1967, 2H2; Column length: 100. m; Column diameter: 0.25 mm
PackedSE-3070.478.Widmer, 1967Diatoport S; Column length: 7.9 m
PackedSqualane100.477.Evans, 1966Untreated celite; Column length: 1.8 m
PackedSqualane22.474.Evans, 1966Untreated celite; Column length: 1.8 m
PackedSqualane30.474.Evans, 1966Untreated celite; Column length: 1.8 m
PackedSqualane40.475.Evans, 1966Untreated celite; Column length: 1.8 m
PackedSqualane55.473.Evans, 1966Untreated celite; Column length: 1.8 m
PackedSqualane60.475.Evans, 1966Untreated celite; Column length: 1.8 m
PackedSqualane70.474.Evans, 1966Untreated celite; Column length: 1.8 m
PackedSqualane80.476.Evans, 1966Untreated celite; Column length: 1.8 m
PackedSqualane26.476.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-101465.Hayes and Pitzer, 1982110. m/0.25 mm/0.20 μm, He, 1. K/min; Tstart: 35. C; Tend: 200. C
CapillaryApiezon L461.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-100477.5Haagen-Smit Laboratory, 1997He; Column length: 100. m; Column diameter: 0.2 mm; Program: 5C(10min) => 5C/min => 50C(48min) => 1.5C/min => 195C(91min)
CapillaryDB-1477.Hoekman, 199360. m/0.32 mm/1.0 μm, He; Program: -40 C for 12 min; -40 - 125 C at 3 deg.min; 125-185 C at 6 deg/min; 185 - 220 C at 20 deg/min; hold 220 C for 2 min

Kovats' RI, polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
PackedCarbowax 20M130.467.Widmer, 1967Diatoport P; Column length: 7.9 m
PackedCarbowax 20M70.471.Widmer, 1967Diatoport P; Column length: 7.9 m

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

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Column type Active phase I Reference Comment
CapillaryPetrocol DH464.9Censullo, Jones, et al., 200350. m/0.25 mm/0.5 μm, He, 35. C @ 10. min, 3. K/min, 200. C @ 10. min
CapillaryOV-101466.1Yin, Liu, et al., 2001N2, 1. K/min; Column length: 80. m; Column diameter: 0.22 mm; Tstart: 30. C; Tend: 130. C
CapillaryPetrocol DH465.35Subramaniam, Bochniak, et al., 1994100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C
CapillaryPetrocol DH465.39Subramaniam, Bochniak, et al., 1994100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C
CapillaryUltra-1467.Olson, Sinkevitch, et al., 19924. K/min; Tstart: -40. C; Tend: 230. C
CapillaryPetrocol DH465.11White, Douglas, et al., 1992100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C
CapillaryPetrocol DH465.18White, Douglas, et al., 1992100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C
CapillaryOV-101465.Hayes and Pitzer, 1981108. m/0.25 mm/0.2 μm, 1. K/min; Tstart: 35. C; Tend: 200. C

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

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Column type Active phase I Reference Comment
CapillaryOV-101466.Wu and Lu, 1984Program: not specified

Normal alkane RI, non-polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillaryOV-10140.474.Li and Deng, 1998N2; Column length: 51. m; Column diameter: 0.25 mm
CapillaryMethyl Silicone50.475.N/AN2; Column length: 74.6 m; Column diameter: 0.28 mm
CapillaryOV-10150.474.Wu and Lu, 1984, 2 
CapillaryOV-10170.475.Wu and Lu, 1984, 2 
PackedMethyl Silicone50.475.Huguet, 1961Nitrogen, Celite C-22; Column length: 2.5 m

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryPolydimethyl siloxane: CP-Sil 5 CB475.Bramston-Cook, 201360. m/0.25 mm/1.0 μm, Helium, 45. C @ 1.45 min, 3.6 K/min, 210. C @ 2.72 min
CapillaryPetrocol DH476.Supelco, 2012100. m/0.25 mm/0.50 μm, Helium, 20. C @ 15. min, 15. K/min, 220. C @ 30. min
CapillaryUltra-ALLOY-5480.Tsuge, Ohtan, et al., 201130. m/0.25 mm/0.25 μm, 40. C @ 2. min, 20. K/min, 320. C @ 13. min
CapillaryHP-5 MS474.Zenkevich, Makarov A.A., et al., 200930. m/0.25 mm/0.25 μm, Helium, 2. K/min, 220. C @ 10. min; Tstart: 50. C
CapillaryPONA465.Zhang, Ding, et al., 200950. m/0.20 mm/0.50 μm, Nitrogen, 35. C @ 15. min, 2. K/min, 200. C @ 10. min
CapillaryOV-1466.2Krkosova, Kubinec, et al., 2007100. m/0.32 mm/0.25 μm, Helium, 5. K/min, 310. C @ 5. min; Tstart: 30. C
CapillarySE-54464.Guan, Li, et al., 199560. C @ 2. min, 4. K/min; Column length: 50. m; Column diameter: 0.32 mm; Tend: 200. C
CapillaryDB-1464.Ciccioli, Cecinato, et al., 199260. m/0.32 mm/1.2 μm, He, 30. C @ 10. min, 3. K/min; Tend: 240. C

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

View large format table.

Column type Active phase I Reference Comment
CapillaryNonpolar475.Staples and Zeiger, 2008Program: not specified
CapillaryMethyl Silicone476.Chen and Feng, 2007Program: not specified
CapillaryMethyl Silicone475.Feng and Mu, 2007Program: not specified
CapillaryMethyl Silicone475.Blunden, Aneja, et al., 200560. m/0.32 mm/1.0 μm, Helium; Program: -50 0C (2 min) 8 0C/min -> 200 0C (7.75 min) 25 0C -> 225 0C (8 min)
CapillaryOV-101475.Du and Liang, 2003Program: not specified
CapillaryPolydimethyl siloxane475.Junkes, Castanho, et al., 2003Program: not specified
CapillaryPONA477.Perkin Elmer Instruments, 2002Column length: 100. m; Phase thickness: 0.50 μm; Program: not specified
CapillaryPolydimethyl siloxanes466.Yin, Guo, et al., 2001Program: not specified
CapillaryMethyl Silicone472.Spieksma, 1999Program: not specified
CapillaryMethyl Silicone474.Xu, Chu, et al., 1995Program: not specified
CapillarySE-52467.van Langenhove and Schamp, 1986Column length: 100. m; Column diameter: 0.50 mm; Program: not specified
PackedSE-30476.Robinson and Odell, 1971N2, Chromosorb W; Column length: 6.1 m; Program: 50C910min) => 20C/min => 90(6min) => 10C/min => 150C(hold)
PackedSqualane476.Robinson and Odell, 1971N2, Embacel; Column length: 3.0 m; Program: 25C(5min) => 2C/min => 35 => 4C/min => 95C(hold)
PackedSE-30476.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)
PackedSqualane476.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, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, Notes

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

Good, 1970
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Knowlton and Rossini, 1939
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Cox and Pilcher, 1970
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Scott D.W., 1974
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Scott D.W., 1974, 2
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Pitzer K.S., 1946
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Scott D.W., 1951
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Guthrie and Huffman, 1943
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Reid, 1972
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Scott, McCullough, et al., 1951
Scott, D.W.; McCullough, J.P.; Williamson, K.D.; Waddington, G., Rotational isomerism and thermodynamic functions of 2-methylbutane and 2,3-dimethylbutane. Vapor heat capacity and heat of vaporization of 2-methylbutane, J. Am. Chem. Soc., 1951, 73, 1707-17. [all data]

Schumann, Aston, et al., 1942, 2
Schumann, S.C.; Aston, J.G.; Sagenkahn, M., The heat capacity and entropy, heats of fusion and vaporization and the vapor pressures of isopentane, J. Am. Chem. Soc., 1942, 64, 1039-1043. [all data]

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Das, Reed, et al., 1977, 2
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Stull, 1947
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Willingham, Taylor, et al., 1945
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Williamham, Taylor, et al., 1945
Williamham, C.B.; Taylor, W.J.; Pignocco, J.M.; Rossini, F.D., Vapor Pressures and Boiling Points of Some Paraffin, Alkylcyclopentane, Alkylcyclohexane, and Alkylbenzene Hydrocarbons, J. Res. Natl. Bur. Stand. (U.S.), 1945, 35, 3, 219-244, https://doi.org/10.6028/jres.035.009 . [all data]

Guthrie and Huffman, 1943, 2
Guthrie, G.B., Jr.; Huffman, H.M., Thermal data. XVI. The heat capacity and entropy of isopentane. The absence of a reported anomaly, J. Am. Chem. Soc., 1943, 65, 1139-1143. [all data]

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Parks, Huffman, et al., 1930, 2
Parks, G.S.; Huffman, H.M.; Thomas, S.B., Thermal data on organic compounds. VI. The heat capacities, entropies and free energies of some saturated, non-benzenoid hydrocarbons, J. Am. Chem. Soc., 1930, 52, 1032-1041. [all data]

Dolliver, Gresham, et al., 1937
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Kistiakowsky, Ruhoff, et al., 1936
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Pines, Kvetinskas, et al., 1945
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Luo and Pacey, 1992
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Traeger, 1981
Traeger, J.C., Heat of formation of sec-butyl cation in the gas phase, Org. Mass Spectrom., 1981, 16, 193. [all data]

Bieri, Burger, et al., 1977
Bieri, G.; Burger, F.; Heilbronner, E.; Maier, J.P., Valence ionization enrgies of hydrocarbons, Helv. Chim. Acta, 1977, 60, 2213. [all data]

Flesch and Svec, 1973
Flesch, G.D.; Svec, H.J., Fragmentation reactions in the mass spectrometer for C2-C5 alkanes, J. Chem. Soc. Faraday Trans. 2, 1973, 69, 1187. [all data]

Dewar and Worley, 1969
Dewar, M.J.S.; Worley, S.D., Photoelectron spectra of molecules. I. Ionization potentials of some organic molecules and their interpretation, J. Chem. Phys., 1969, 50, 654. [all data]

Watanabe, Nakayama, et al., 1962
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Kimura, Katsumata, et al., 1981
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Steiner, Giese, et al., 1961
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Heinzen, Soares, et al., 1999
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Estel, Mohnke, et al., 1995
Estel, D.; Mohnke; Biermans; Rotzsche, The analysis of C4-C11 hydrocarbons in naphtha and reformate with a new apolar fused silica column, J. Hi. Res. Chromatogr., 1995, 18, 7, 403-412, https://doi.org/10.1002/jhrc.1240180703 . [all data]

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

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

Papazova, Milina, et al., 1988
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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. 2. Pyrolysis of methylcyclohexane, Ind. Eng. Chem. Prod. Res. Dev., 1979, 18, 2, 135-142, https://doi.org/10.1021/i360070a012 . [all data]

Bajus, Veselý, et al., 1979, 2
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]

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]

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]

Schomburg and Dielmann, 1973
Schomburg, G.; Dielmann, G., Identification by means of retention parameters, J. Chromatogr. Sci., 1973, 11, 3, 151-159, https://doi.org/10.1093/chromsci/11.3.151 . [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]

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]

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
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]

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]

Zulaïca and Guiochon, 1966
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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
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Hoekman, 1993
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Olson, Sinkevitch, et al., 1992
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Hayes and Pitzer, 1981
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Huguet, 1961
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Robinson and Odell, 1971, 2
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Notes

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