2-Butene, 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
DRB - Donald R. Burgess, Jr.
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow

Quantity Value Units Method Reference Comment
Δfgas-9.92 ± 0.21kcal/molEqkWiberg and Hao, 1991Heat of hydration; ALS
Δfgas-9.80kcal/molN/AGood and Smith, 1979Value computed using ΔfHliquid° value of -68.1±1.3 kj/mol from Good and Smith, 1979 and ΔvapH° value of 27.1 kj/mol from Wiberg and Hao, 1991.; DRB

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
26.530 ± 0.079319.04Scott D.W., 1949GT
29.391 ± 0.088362.37
32.010 ± 0.096402.26
34.19 ± 0.10436.18
36.34 ± 0.11471.09

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
25.100298.15Scott D.W., 1949Recommended results of statistical thermodynamics calculation are in good agreement with experimental data.; GT
25.220300.
31.931400.
38.069500.
43.420600.
48.040700.
52.051800.
55.521900.
58.5491000.
61.1591100.
63.4491200.
65.4181300.
67.1391400.
68.6301500.

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
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tboil311. ± 1.KAVGN/AAverage of 44 out of 45 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus140. ± 10.KAVGN/AAverage of 10 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple139.40KN/AChao, Hall, et al., 1983Uncertainty assigned by TRC = 0.02 K; TRC
Ttriple139.42KN/ATodd, Oliver, et al., 1947Uncertainty assigned by TRC = 0.05 K; TRC
Ttriple139.440KN/AHuffman, 1945Uncertainty assigned by TRC = 0.6 K; TRC
Ttriple139.420KN/AHuffman, 1945Uncertainty assigned by TRC = 0.6 K; TRC
Ttriple138.9KN/AParks and Huffman, 1930Uncertainty assigned by TRC = 0.2 K; TRC
Quantity Value Units Method Reference Comment
Tc470. ± 1.KN/ATsonopoulos and Ambrose, 1996 
Tc481.KN/AMajer and Svoboda, 1985 
Quantity Value Units Method Reference Comment
Pc33.8 ± 0.99atmN/ATsonopoulos and Ambrose, 1996 
Quantity Value Units Method Reference Comment
Δvap6.534kcal/molN/AMajer and Svoboda, 1985 
Δvap6.48kcal/molN/AReid, 1972AC
Δvap6.48 ± 0.02kcal/molCScott, Waddington, et al., 1949AC

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
6.288311.7N/AMajer and Svoboda, 1985 
6.79286.AStephenson and Malanowski, 1987Based on data from 271. to 343. K.; AC
6.76291.N/AScott, Waddington, et al., 1949Based on data from 276. to 344. K.; AC
6.57 ± 0.02290.CScott, Waddington, et al., 1949AC
6.29 ± 0.02312.CScott, Waddington, et al., 1949AC

Enthalpy of vaporization

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

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Temperature (K) A (kcal/mol) β Tc (K) Reference Comment
290. to 312.9.9090.2688481.Majer and Svoboda, 1985 

Antoine Equation Parameters

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

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Temperature (K) A B C Reference Comment
276.19 to 343.744.041561098.619-39.889Scott, Waddington, et al., 1949Coefficents calculated by NIST from author's data.

Enthalpy of fusion

ΔfusH (kcal/mol) Temperature (K) Reference Comment
1.811139.40Chao, Hall, et al., 1983, 2DH
1.8158139.42Todd, Oliver, et al., 1947, 2DH
1.81139.4Domalski and Hearing, 1996AC
1.777138.9Parks and Huffman, 1930, 2DH

Entropy of fusion

ΔfusS (cal/mol*K) Temperature (K) Reference Comment
12.99139.40Chao, Hall, et al., 1983, 2DH
13.02139.42Todd, Oliver, et al., 1947, 2DH
1.28138.9Parks and Huffman, 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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias

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-Methyl-1-butene = 2-Butene, 2-methyl-

By formula: C5H10 = C5H10

Quantity Value Units Method Reference Comment
Δr-1.6 ± 0.72kcal/molEqkRihko, Linnekoski, et al., 1994liquid phase; solvent: Methanol/H+; ALS
Δr-1.9 ± 0.33kcal/molEqkRihko, Linnekoski, et al., 1994liquid phase; solvent: Ethanol/H+; ALS

C3H9Si+ + 2-Butene, 2-methyl- = (C3H9Si+ • 2-Butene, 2-methyl-)

By formula: C3H9Si+ + C5H10 = (C3H9Si+ • C5H10)

Quantity Value Units Method Reference Comment
Δr38.2kcal/molPHPMSLi and Stone, 1989gas phase; condesation; M
Quantity Value Units Method Reference Comment
Δr48.0cal/mol*KPHPMSLi and Stone, 1989gas phase; condesation; M

2-Butene, 2-methyl- + Methyl Alcohol = Butane, 2-methoxy-2-methyl-

By formula: C5H10 + CH4O = C6H14O

Quantity Value Units Method Reference Comment
Δr-7.84kcal/molEqkSerda, Izquierdo, et al., 1995liquid phase; ALS
Δr-6.41 ± 0.55kcal/molEqkRihko, Linnekoski, et al., 1994liquid phase; solvent: Alcohol/alkane mixture; ALS

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

By formula: C5H10 + HCl = C5H11Cl

Quantity Value Units Method Reference Comment
Δr-14.12 ± 0.22kcal/molCmArnett and Pienta, 1980liquid phase; solvent: Methylene chloride; Hydrochloroination; ALS

2-Butene, 2-methyl- + Ethanol = Butane, 2-ethoxy-2-methyl-

By formula: C5H10 + C2H6O = C7H16O

Quantity Value Units Method Reference Comment
Δr-6.5 ± 1.6kcal/molEqkRihko, Linnekoski, et al., 1994liquid phase; solvent: Alcohol/alkane mixture; ALS

2-Butene, 2-methyl- + Trifluoroacetic acid = Acetic acid, trifluoro-, 2,2-dimethylpropyl ester

By formula: C5H10 + C2HF3O2 = C7H11F3O2

Quantity Value Units Method Reference Comment
Δr-9.11 ± 0.04kcal/molCmWiberg and Hao, 1991liquid phase; Trifluoroacetolysis; ALS

2-Butene, 2-methyl- = 1-Butene, 3-methyl-

By formula: C5H10 = C5H10

Quantity Value Units Method Reference Comment
Δr3.40 ± 0.35kcal/molEqkRadyuk, Kabo, et al., 1973gas phase; Heat of isomerization at 622 K; ALS

2-Butene, 2-methyl- = 2-Methyl-1-butene

By formula: C5H10 = C5H10

Quantity Value Units Method Reference Comment
Δr1.93 ± 0.12kcal/molEqkRadyuk, Kabo, et al., 1973gas phase; Heat of isomerization at 562 K; ALS

2-Butene, 2-methyl- + Bromine = 2,3-dibromo-2-methylbutane

By formula: C5H10 + Br2 = C5H10Br2

Quantity Value Units Method Reference Comment
Δr-30.40 ± 0.20kcal/molCmConn, Kistiakowsky, et al., 1938gas phase; At 355 °K; ALS

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

By formula: H2 + C5H10 = C5H12

Quantity Value Units Method Reference Comment
Δr-26.68 ± 0.06kcal/molChydKistiakowsky, Ruhoff, et al., 1936gas phase; ALS

2-Butene, 2-methyl- + Methyl Alcohol = Butane, 1-methoxy-2-methyl-

By formula: C5H10 + CH4O = C6H14O

Quantity Value Units Method Reference Comment
Δr-7.84 ± 0.33kcal/molEqkSerda, Izquierdo, et al., 1995liquid phase; ALS

Butane, 2-ethoxy-2-methyl- = 2-Butene, 2-methyl- + Ethanol

By formula: C7H16O = C5H10 + C2H6O

Quantity Value Units Method Reference Comment
Δr8.16 ± 0.19kcal/molEqkSharonov, Rozhnov, et al., 1995liquid phase; ALS

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:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias

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

View reactions leading to C5H10+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)8.69 ± 0.01eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)193.3kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity186.4kcal/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
8.69PITraeger, 1986LBLHLM
8.68 ± 0.02PEBieri, Burger, et al., 1977LLK
8.682 ± 0.003PEMasclet, Grosjean, et al., 1973LLK
8.70EILossing, 1972LLK
8.83 ± 0.11EIGross and Wilkins, 1971LLK
8.72PEFrost and Sandhu, 1971LLK
8.85 ± 0.04EIBock and Seidl, 1968RDSH
8.67 ± 0.02PIWatanabe, Nakayama, et al., 1962RDSH
8.68PIBralsford, Harris, et al., 1960RDSH

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C3H6+11.70 ± 0.11C2H4EIGross and Wilkins, 1971LLK
C4H7+10.80CH3PITraeger, 1986LBLHLM
C4H7+10.84CH3EIBrand and Baer, 1984LBLHLM
C4H7+10.84CH3EILossing, 1972LLK
C4H7+11.33 ± 0.12CH3EIGross and Wilkins, 1971LLK

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 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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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 Sadtler Research Labs Under US-EPA Contract
State gas

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


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

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

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 Japan AIST/NIMC Database- Spectrum MS-NW-1329
NIST MS number 233774

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, 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
CapillaryMethyl Silicone30.520.2Soják, Addová, et al., 2002He; Column length: 150. m; Column diameter: 0.250 mm
CapillarySqualane30.513.8Soják, Addová, et al., 2002He; Column length: 93. m; Column diameter: 0.250 mm
CapillaryOV-170.515.Annino and Villalobos, 199922.6 m/0.53 mm/2.78 μm
CapillaryCP Sil 5 CB20.520.1Do and Raulin, 199225. m/0.15 mm/2. μm, H2
CapillaryPoraPLOT Q100.504.Do and Raulin, 198910. m/0.32 mm/10. μm, H2
CapillaryPoraPLOT Q160.504.Do and Raulin, 198910. m/0.32 mm/10. μm, H2
CapillaryOV-145.520.Guan, Kiraly, et al., 198920. m/0.32 mm/1.2 μm, He
CapillaryOV-165.519.8Guan, Kiraly, et al., 198920. m/0.32 mm/1.2 μm, He
CapillaryOV-145.520.Guan, Kiraly, et al., 198925. m/0.31 mm/0.52 μm, He
CapillaryOV-165.519.8Guan, Kiraly, et al., 198925. m/0.31 mm/0.52 μm, He
CapillarySqualane50.514.3Guan, Kiraly, et al., 198950. m/0.22 mm/0.21 μm, He
CapillarySqualane70.514.4Guan, Kiraly, et al., 198950. m/0.22 mm/0.21 μm, He
CapillarySE-5465.523.Guan, Kiraly, et al., 198925. m/0.31 mm/0.52 μm, He
CapillaryHP-160.519.Bangjie, Yijian, et al., 1988N2; Column length: 25. m; Column diameter: 0.20 mm
CapillaryHP-160.519.Bangjie, Yijian, et al., 1988N2; Column length: 25. m; Column diameter: 0.20 mm
CapillaryOV-10140.520.Laub and Purnell, 1988 
CapillaryOV-10160.520.Laub and Purnell, 1988 
CapillaryOV-10180.520.Laub and Purnell, 1988 
CapillarySqualane50.514.5Papazova, Milina, et al., 1988Column length: 50. m; Column diameter: 0.25 mm
CapillaryOV-10150.519.9Boneva and Dimov, 1986100. m/0.27 mm/0.9 μm, N2
CapillaryOV-10170.520.3Boneva and Dimov, 1986100. m/0.27 mm/0.9 μm, N2
CapillarySqualane50.514.5Boneva and Dimov, 1986N2; Column length: 100. m; Column diameter: 0.25 mm
CapillarySqualane70.514.7Boneva and Dimov, 1986N2; Column length: 100. m; Column diameter: 0.25 mm
PackedSE-3042.514.Rudenko, Mal'tsev, et al., 1985Column length: 3. m
CapillaryDB-140.520.Lubeck and Sutton, 198460. m/0.264 mm/0.25 μm, H2
CapillaryHP-PONA40.520.Lubeck and Sutton, 198450. m/0.21 mm/0.5 μm, H2
CapillaryOV-150.520.Anders, Scheller, et al., 1982Column length: 55. m; Column diameter: 0.21 mm
CapillaryOV-140.519.Nijs and Jacobs, 1981He; Column length: 150. m; Column diameter: 0.50 mm
CapillarySqualane50.514.33Pacáková and Koslík, 197850. m/0.2 mm/0.5 μm, N2
PackedSqualane80.514.Chrétien and Dubois, 1977 
CapillarySqualane50.514.Chretien and Dubois, 1976 
CapillarySqualane100.526.Lulova, Leont'eva, et al., 1976He; Column length: 120. m; Column diameter: 0.25 mm
CapillarySqualane50.514.Rijks and Cramers, 1974N2; Column length: 100. m; Column diameter: 0.25 mm
CapillarySqualane70.514.Rijks and Cramers, 1974N2; Column length: 100. m; Column diameter: 0.25 mm
CapillarySqualane27.513.75Schomburg and Dielmann, 1973Column length: 100. m; Column diameter: 0.25 mm
PackedSqualane50.514.0Takács, Tálas, et al., 1972N2, Chromosorb W; Column length: 3. m
CapillarySqualane40.507.Matukuma, 1969N2; Column length: 91.4 m; Column diameter: 0.25 mm
PackedSqualane27.514.Hively and Hinton, 1968He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
PackedSqualane49.514.Hively and Hinton, 1968He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
PackedSqualane67.515.Hively and Hinton, 1968He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
PackedSqualane86.515.Hively and Hinton, 1968He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
PackedSqualane30.515.Tourres, 1967H2; Column length: 10. m
PackedSqualane50.515.Tourres, 1967H2; Column length: 10. m
PackedSE-3070.522.Widmer, 1967Diatoport S; Column length: 7.9 m
PackedSqualane26.514.Zulaïca and Guiochon, 1966Column length: 10. m
PackedApiezon L130.526.Wehrli and Kováts, 1959Celite; Column length: 2.25 m
PackedApiezon L70.527.Wehrli and Kováts, 1959Celite; Column length: 2.25 m

Kovats' RI, non-polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryPetrocol DH-100525.Haagen-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-1523.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
CapillaryCarbowax 20M70.614.Annino and Villalobos, 199931.3 m/0.53 mm/0.54 μm
PackedCarbowax 20M130.573.Widmer, 1967Diatoport P; Column length: 7.9 m
PackedCarbowax 20M70.561.Widmer, 1967Diatoport P; Column length: 7.9 m

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

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-5515.8Xu, van Stee, et al., 200330. m/0.25 mm/1. μm, He, 2.5 K/min; Tstart: 50. C; Tend: 200. C
CapillaryMethyl Silicone518.6Soják, Addová, et al., 2002He, 1. K/min; Column length: 150. m; Column diameter: 0.250 mm; Tstart: 30. C; Tend: 200. C
CapillaryUltra-1520.Olson, Sinkevitch, et al., 19924. K/min; Tstart: -40. C; Tend: 230. C
CapillaryPetrocol DH513.84White, Douglas, et al., 1992100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C
CapillaryPetrocol DH514.38White, Douglas, et al., 1992100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C
CapillaryPetrocol DH514.White, Hackett, et al., 1992100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C
CapillaryHP-1520.3Bangjie, Xijian, et al., 1987N2, 10. K/min; Column length: 25. m; Column diameter: 0.2 mm; Tstart: 30. C
CapillaryHP-1519.5Bangjie, Xijian, et al., 1987N2, 2. K/min; Column length: 25. m; Column diameter: 0.2 mm; Tstart: 30. C
CapillaryHP-1520.4Bangjie, Xijian, et al., 1987N2, 30. C @ 5. min, 5. K/min; Column length: 25. m; Column diameter: 0.2 mm

Normal alkane RI, non-polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
CapillarySqualane40.514.2Sojak, Addova, et al., 2000He; Column length: 93. m; Column diameter: 0.25 mm
CapillarySE-5450.530.Xieyun, Maoqi, et al., 1996N2; Column length: 40. m; Column diameter: 0.25 mm
CapillaryMethyl Silicone50.514.N/AN2; Column length: 74.6 m; Column diameter: 0.28 mm
CapillarySqualane70.515.Schomburg, 1966 
PackedMethyl Silicone50.531.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 CB519.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 DH521.Supelco, 2012100. m/0.25 mm/0.50 μm, Helium, 20. C @ 15. min, 15. K/min, 220. C @ 30. min
CapillaryDB-5 MS498.Su, Wang, et al., 200930. m/0.25 mm/0.25 μm, Helium, 40. C @ 2. min, 4. K/min, 250. C @ 2. min
CapillaryPONA514.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-101522.Orav, Kailas, et al., 199950. m/0.20 mm/0.50 μm, Helium, 30. C @ 6. min, 1. K/min; Tend: 100. C
CapillarySE-54514.Guan, Li, et al., 199560. C @ 2. min, 4. K/min; Column length: 50. m; Column diameter: 0.32 mm; Tend: 200. C
CapillaryDB-1519.Ramnas, Ostermark, et al., 199450. m/0.32 mm/1.0 μm, He, 2. K/min; Tstart: -20. C
CapillaryDB-1515.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
CapillaryDB-5 MS502.Su, Wang, et al., 200930. m/0.25 mm/0.25 μm, Helium; Program: not specified
CapillaryMethyl Silicone515.Chen and Feng, 2007Program: not specified
CapillaryMethyl Silicone521.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)
CapillaryPolydimethyl siloxane514.Junkes, Castanho, et al., 2003Program: not specified
CapillaryCP-Sil5 CB MS515.Tirillini, Verdelli, et al., 200050. m/0.32 mm/0.4 μm; Program: 0C (3min) => 3C/min => 50C => 5C/min => 220C (30min)
CapillaryMethyl Silicone522.Spieksma, 1999Program: not specified
CapillaryMethyl Silicone517.Zenkevich, 1999Program: not specified
CapillaryOV-1520.Zhu and He, 1999Program: not specified
CapillaryOV-1520.Zhu and He, 1999Program: not specified
CapillarySE-54523.Zhu and He, 1999Program: not specified
CapillarySE-54524.Zhu and He, 1999Program: not specified
CapillaryPolydimethyl siloxanes517.Zenkevich, 1997Program: not specified
CapillaryPolydimethyl siloxanes517.Zenkevich, Chupalov, et al., 1996Program: not specified
CapillaryMethyl Silicone517.Zenkevich, 1996Program: not specified
CapillaryDB-1514.Ciccioli, Cecinato, et al., 199460. m/0.32 mm/0.25 μm; Program: not specified
PackedSE-30525.Robinson and Odell, 1971N2, Chromosorb W; Column length: 6.1 m; Program: 50C910min) => 20C/min => 90(6min) => 10C/min => 150C(hold)

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.

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Guan, Kiraly, et al., 1989
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Bangjie, Yijian, et al., 1988
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Laub and Purnell, 1988
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Papazova, D.; Milina, R.; Dimov, N., Comparative evaluation of retention of hydrocarbons present in the C5-petroleum fraction of methylsilicone and squalane phases, Chromatographia, 1988, 25, 3, 177-180, https://doi.org/10.1007/BF02316441 . [all data]

Boneva and Dimov, 1986
Boneva, S.; Dimov, N., Gas Chromatographic Retention Indices for Alkenes on OV-101 and Squalane Capillary Columns, Chromatographia, 1986, 21, 3, 149-151, https://doi.org/10.1007/BF02311743 . [all data]

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Lubeck and Sutton, 1984
Lubeck, A.J.; Sutton, D.L., Kovats Retention Indices of Selected Olefins on Bonded Phase Fused Silica Capillaries, J. Hi. Res. Chromatogr. Chromatogr. Comm., 1984, 7, 9, 542-544, https://doi.org/10.1002/jhrc.1240070913 . [all data]

Anders, Scheller, et al., 1982
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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]

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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]

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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
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Matukuma, 1969
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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]

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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]

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Schomburg, G., Gaschromatographische Retentionsdaten und Struktur Chemischer Verbindungen. II. Methylverzweigungen und Doppelbindungen in Offenkettigen Kohlenwasserstoffen, J. Chromatogr., 1966, 23, 1-17, https://doi.org/10.1016/S0021-9673(01)98652-2 . [all data]

Huguet, 1961
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Ciccioli, P.; Cecinato, A.; Brancaleoni, E.; Frattoni, M.; Liberti, A., Use of carbon adsorption traps combined with high resolution gas chromatography - mass spectrometry for the analysis of polar and non-polar C4-C14 hydrocarbons involved in photochemical smog formation, J. Hi. Res. Chromatogr., 1992, 15, 2, 75-84, https://doi.org/10.1002/jhrc.1240150205 . [all data]

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Chen, Y.; Feng, C., QSPR study on gas chromatography retention index of some organic pollutants, Comput. Appl. Chem. (China), 2007, 24, 10, 1404-1408. [all data]

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Tirillini, Verdelli, et al., 2000
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Spieksma, 1999
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Zenkevich, 1999
Zenkevich, I.G., New Application of the Retention Index Concept in Gas and High Performance Liquid Chromatography, Fresenius' J. Anal. Chem., 1999, 365, 4, 305-309, https://doi.org/10.1007/s002160051491 . [all data]

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Zenkevich, 1997
Zenkevich, I.G., Influence of the Variations of Dynamics Molecular Parameterts on the Additivity of Chromatigraphic Retention Indices of Products of Organic Reactions Relative to Initial Reagents, Dokl. Akad. Nauk (Rus.), 1997, 353, 5, 625-627. [all data]

Zenkevich, Chupalov, et al., 1996
Zenkevich, I.G.; Chupalov, A.A.; Herzschuh, R., Correlation of the Increments of Gas Chromatographic Retention Indices with the Differences of Innermolecular Energies of Reagents and Products of Chemical Reactions, Zh. Org. Khim. (Rus.), 1996, 32, 11, 1685-1691. [all data]

Zenkevich, 1996
Zenkevich, I.G., Informational Maitenance of Gas Chromatographic Identification of Organic Compounds in Ecoanalytical Investigations, Z. Anal. Chem., 1996, 51, 11, 1140-1148. [all data]

Ciccioli, Cecinato, et al., 1994
Ciccioli, P.; Cecinato, A.; Brancaleoni, E.; Brachetti, A.; Frattoni, M.; Sparapani, R., Composition and Distribution of Polar and Non-Polar VOCs in Urban, Rural, Forest and Remote Areas, Eur Commission EUR, 1994, 549-568. [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]


Notes

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