1-Heptene

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Gas 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:
DRB - Donald R. Burgess, Jr.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Δfgas-63.0kJ/molN/AWiberg, Wasserman, et al., 1984Value computed using ΔfHliquid° value of -97.7±0.6 kj/mol from Wiberg, Wasserman, et al., 1984 and ΔvapH° value of 34.7 kj/mol from Rockenfeller and Rossini, 1961.; DRB
Δfgas-63.7kJ/molN/AGood, 1976Value computed using ΔfHliquid° value of -98.4±0.9 kj/mol from Good, 1976 and ΔvapH° value of 34.7 kj/mol from Rockenfeller and Rossini, 1961.; DRB
Δfgas-62.30kJ/molCcbRockenfeller and Rossini, 1961ALS

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics 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
Δfliquid-97.70 ± 0.63kJ/molEqkWiberg, Wasserman, et al., 1984Trifluoroacetolysis, hrxn[kcal/mol]=-11.808±0.015; ALS
Δfliquid-98.37 ± 0.88kJ/molCcbGood, 1976ALS
Δfliquid-97.0 ± 1.2kJ/molCcbRockenfeller and Rossini, 1961Reanalyzed by Cox and Pilcher, 1970, Original value = -97.95 kJ/mol; ALS
Quantity Value Units Method Reference Comment
Δcliquid-4657.00 ± 0.75kJ/molCcbGood, 1976Corresponding Δfliquid = -98.37 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Δcliquid-4658.3 ± 1.2kJ/molCcbRockenfeller and Rossini, 1961Corresponding Δfliquid = -97.03 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Δcliquid-4650.98 ± 0.79kJ/molCcbCoops, Mulder, et al., 1947Reanalyzed by Cox and Pilcher, 1970, Original value = -4642. ± 4. kJ/mol; See Coops, Mulder, et al., 1946; Corresponding Δfliquid = -104.4 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
liquid327.65J/mol*KN/AMcCullough, Finke, et al., 1957DH
liquid328.9J/mol*KN/AParks, Todd, et al., 1936Extrapolation below 80 K, 58.58 J/mol*K.; DH

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
211.79298.15McCullough, Finke, et al., 1957T = 11 to 360 K.; DH
212.84295.1Parks, Todd, et al., 1936T = 80 to 295 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, 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

Quantity Value Units Method Reference Comment
Tboil367. ± 3.KAVGN/AAverage of 45 out of 46 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus153. ± 3.KAVGN/AAverage of 10 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple154.30KN/AMcCullough, Finke, et al., 1957, 2Crystal phase 1 phase; Uncertainty assigned by TRC = 0.05 K; TRC
Ttriple153.89KN/AMcCullough, Finke, et al., 1957, 2Metastable crystal phase; Uncertainty assigned by TRC = 0.05 K; TRC
Ttriple153.4KN/AParks, Todd, et al., 1936, 2Uncertainty assigned by TRC = 0.2 K; TRC
Quantity Value Units Method Reference Comment
Tc537.3 ± 0.4KN/ATsonopoulos and Ambrose, 1996 
Tc537.23KN/AAmbrose, Cox, et al., 1960Uncertainty assigned by TRC = 0.05 K; Visual, PRT, IPTS-48, with decomp.; TRC
Quantity Value Units Method Reference Comment
Pc29.2 ± 0.4barN/ATsonopoulos and Ambrose, 1996 
Quantity Value Units Method Reference Comment
Vc0.409l/molN/ATsonopoulos and Ambrose, 1996 
Quantity Value Units Method Reference Comment
ρc2.4 ± 0.04mol/lN/ATsonopoulos and Ambrose, 1996 
Quantity Value Units Method Reference Comment
Δvap35.7kJ/molN/AReid, 1972AC

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
34.6326.AStephenson and Malanowski, 1987Based on data from 311. - 368. K.; AC
33.9342.N/AEisen and Orav, 1970Based on data from 327. - 367. K. See also Boublik, Fried, et al., 1984.; AC
35.3310.MMForziati, Camin, et al., 1950Based on data from 295. - 318. K.; AC
35.93300.VLister, 1941Heat of bromination at 300 K; ALS
35.9300.N/ALister, 1941Based on data from 255. - 312. K.; AC
34.5288.N/ABent, Cuthbertson, et al., 1936Based on data from 273. - 362. 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 Comment
273.19 - 361.894.218111400.674-34.193Bent, Cuthbertson, et al., 1936Coefficents calculated by NIST from author's data.

Enthalpy of fusion

ΔfusH (kJ/mol) Temperature (K) Reference Comment
12.64154.3Domalski and Hearing, 1996AC
12.661153.4Parks, Todd, et al., 1936DH

Entropy of fusion

ΔfusS (J/mol*K) Temperature (K) Reference Comment
82.54153.4Parks, Todd, et al., 1936DH

Enthalpy of phase transition

ΔHtrs (kJ/mol) Temperature (K) Initial Phase Final Phase Reference Comment
12.640153.89crystaline, IIliquidMcCullough, Finke, et al., 1957DH
12.401154.30crystaline, IliquidMcCullough, Finke, et al., 1957DH

Entropy of phase transition

ΔStrs (J/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
82.14153.89crystaline, IIliquidMcCullough, Finke, et al., 1957DH
80.37154.30crystaline, IliquidMcCullough, Finke, et al., 1957DH

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, Gas phase ion energetics 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-Heptene = Heptane

By formula: H2 + C7H14 = C7H16

Quantity Value Units Method Reference Comment
Δr-125. ± 2.kJ/molAVGN/AAverage of 6 values; Individual data points

2-Heptanol = 1-Heptene + Water

By formula: C7H16O = C7H14 + H2O

Quantity Value Units Method Reference Comment
Δr33.4 ± 0.2kJ/molCmWiberg, Wasserman, et al., 1984liquid phase; Heat of hydration

3-Heptanol = 1-Heptene + Water

By formula: C7H16O = C7H14 + H2O

Quantity Value Units Method Reference Comment
Δr33.2 ± 0.2kJ/molCmWiberg, Wasserman, et al., 1984liquid phase; Heat of hydration

4-Heptanol = 1-Heptene + Water

By formula: C7H16O = C7H14 + H2O

Quantity Value Units Method Reference Comment
Δr32.8 ± 0.2kJ/molCmWiberg, Wasserman, et al., 1984liquid phase; Heat of hydration

1-Heptene + Bromine = C7H14Br2

By formula: C7H14 + Br2 = C7H14Br2

Quantity Value Units Method Reference Comment
Δr-126.5kJ/molCmLister, 1941gas phase; Heat of bromination at 300 K

1-Heptene = 3-Heptene, (E)-

By formula: C7H14 = C7H14

Quantity Value Units Method Reference Comment
Δr-10.9 ± 0.4kJ/molEqkKabo, Andreevskii, et al., 1967gas phase; Heat of isomerization

1-Heptene = 2-Heptene, (E)-

By formula: C7H14 = C7H14

Quantity Value Units Method Reference Comment
Δr-10. ± 0.2kJ/molEqkKabo, Andreevskii, et al., 1967gas phase; Heat of isomerization

1-Heptene = (Z)-3-Heptene

By formula: C7H14 = C7H14

Quantity Value Units Method Reference Comment
Δr-7.6 ± 1.1kJ/molEqkKabo, Andreevskii, et al., 1967gas phase; Heat of isomerization

1-Heptene = (Z)-2-Heptene

By formula: C7H14 = C7H14

Quantity Value Units Method Reference Comment
Δr-7.6 ± 0.1kJ/molEqkKabo, Andreevskii, et al., 1967gas phase; Heat of isomerization

Henry's Law data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics 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: 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
0.0025 QN/A missing citation give several references for the Henry's law constants but don't assign them to specific species.

Gas phase ion energetics data

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, 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

Quantity Value Units Method Reference Comment
IE (evaluated)9.34 ± 0.08eVN/AN/AL

Ionization energy determinations

IE (eV) Method Reference Comment
9.38 ± 0.05EIHolmes and Lossing, 1991LL
9.3 ± 0.1EIHaib and Stahl, 1990LL
9.27 ± 0.02PEAshmore and Burgess, 1978LLK
9.442 ± 0.003PEMasclet, Grosjean, et al., 1973LLK

IR Spectrum

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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, Gas phase ion energetics 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.
Origin Japan AIST/NIMC Database- Spectrum MS-NW- 972
NIST MS number 230220

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Gas Chromatography

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics 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
CapillaryMethyl Silicone30.688.6Soják, Addová, et al., 2002He; Column length: 150. m; Column diameter: 0.250 mm
CapillarySqualane30.681.1Soják, Addová, et al., 2002He; Column length: 93. m; Column diameter: 0.250 mm
PackedC78, Branched paraffin130.685.0Dallos, Sisak, et al., 2000He; Column length: 3.3 m
CapillarySqualane100.683.Heinzen, Soares, et al., 1999 
CapillarySqualane25.681.Hilal, Carreira, et al., 1994 
PackedC78, Branched paraffin130.685.9Reddy, Dutoit, et al., 1992Chromosorb G HP; Column length: 3.3 m
PackedApolane130.686.Dutoit, 1991Column length: 3.7 m
CapillaryOV-145.688.6Guan, Kiraly, et al., 198920. m/0.32 mm/1.2 μm, He
CapillaryOV-165.688.7Guan, Kiraly, et al., 198920. m/0.32 mm/1.2 μm, He
CapillaryOV-145.688.6Guan, Kiraly, et al., 198925. m/0.31 mm/0.52 μm, He
CapillaryOV-165.688.7Guan, Kiraly, et al., 198925. m/0.31 mm/0.52 μm, He
CapillarySqualane50.681.8Guan, Kiraly, et al., 198950. m/0.22 mm/0.21 μm, He
CapillarySqualane70.682.3Guan, Kiraly, et al., 198950. m/0.22 mm/0.21 μm, He
CapillarySE-5445.691.8Guan, Kiraly, et al., 198925. m/0.31 mm/0.52 μm, He
CapillarySE-5465.691.8Guan, Kiraly, et al., 198925. m/0.31 mm/0.52 μm, He
CapillaryOV-10140.689.Laub and Purnell, 1988 
CapillaryOV-10160.688.Laub and Purnell, 1988 
CapillaryOV-10180.689.Laub and Purnell, 1988 
CapillaryOV-10150.688.1Boneva and Dimov, 1986100. m/0.27 mm/0.9 μm, N2
CapillaryOV-10170.688.9Boneva and Dimov, 1986100. m/0.27 mm/0.9 μm, N2
CapillarySqualane50.682.Boneva and Dimov, 1986N2; Column length: 100. m; Column diameter: 0.25 mm
CapillarySqualane70.682.6Boneva and Dimov, 1986N2; Column length: 100. m; Column diameter: 0.25 mm
CapillaryOV-1100.689.0Anders, Anders, et al., 198555. m/0.21 mm/0.35 μm, N2
PackedSE-3042.692.Rudenko, Mal'tsev, et al., 1985Column length: 3. m
CapillaryDB-140.689.Lubeck and Sutton, 198460. m/0.264 mm/0.25 μm, H2
CapillaryHP-PONA40.689.Lubeck and Sutton, 198450. m/0.21 mm/0.5 μm, H2
PackedSE-30150.690.Tiess, 1984Ar, Gas Chrom Q (80-100 mesh); Column length: 3. m
CapillaryOV-330.693.9Chien, Furio, et al., 1983 
CapillaryOV-340.693.9Chien, Furio, et al., 1983 
CapillaryOV-350.693.8Chien, Furio, et al., 1983 
CapillaryOV-360.693.8Chien, Furio, et al., 1983 
CapillaryOV-370.693.8Chien, Furio, et al., 1983 
CapillaryOV-380.693.8Chien, Furio, et al., 1983 
CapillarySE-30130.690.Bredael, 1982Column length: 100. m; Column diameter: 0.5 mm
CapillarySE-3080.689.Bredael, 1982Column length: 100. m; Column diameter: 0.5 mm
CapillaryOV-130.688.8Chien, Kopecni, et al., 1981H2
CapillaryOV-140.689.2Chien, Kopecni, et al., 1981H2
CapillaryOV-150.689.6Chien, Kopecni, et al., 1981H2
CapillaryOV-160.690.Chien, Kopecni, et al., 1981H2
CapillaryOV-170.690.Chien, Kopecni, et al., 1981H2
CapillaryOV-180.690.9Chien, Kopecni, et al., 1981H2
CapillarySE-3030.687.3Chien, Kopecni, et al., 1981H2
CapillarySE-3040.687.7Chien, Kopecni, et al., 1981H2
CapillarySE-3050.688.Chien, Kopecni, et al., 1981H2
CapillarySE-3060.688.4Chien, Kopecni, et al., 1981H2
CapillarySE-3070.688.8Chien, Kopecni, et al., 1981H2
CapillarySE-3080.689.2Chien, Kopecni, et al., 1981H2
CapillaryOV-160.697.Nijs and Jacobs, 1981He; Column length: 150. m; Column diameter: 0.50 mm
PackedSqualane100.684.Nabivach and Kirilenko, 1980He, Chromaton N-AW-HMDS; Column length: 1. m
CapillarySqualane50.681.8Bajus, Veselý, et al., 1979Column length: 100. m; Column diameter: 0.25 mm
CapillarySqualane70.682.2Bajus, Veselý, et al., 1979Column length: 100. m; Column diameter: 0.25 mm
CapillarySqualane50.681.9Bajus, Veselý, et al., 1979, 2Column length: 100. m; Column diameter: 0.25 mm
CapillarySqualane70.681.5Bajus, Veselý, et al., 1979, 2Column length: 100. m; Column diameter: 0.25 mm
PackedSqualane80.683.Chrétien and Dubois, 1977 
CapillarySqualane50.682.Chretien and Dubois, 1976 
CapillarySqualane100.684.5Lulova, Leont'eva, et al., 1976He; Column length: 120. m; Column diameter: 0.25 mm
CapillarySqualane100.682.9Lulova, Leont'eva, et al., 1976He; Column length: 120. m; Column diameter: 0.25 mm
CapillarySqualane100.684.9Lulova, Leont'eva, et al., 1976He; Column length: 120. m; Column diameter: 0.25 mm
PackedApolane70.683.6Riedo, Fritz, et al., 1976He, Chromosorb; Column length: 2.4 m
CapillarySqualane55.684.9Lulova, Leont'eva, et al., 1975He; Column length: 120. m; Column diameter: 0.25 mm
CapillarySqualane50.682.Rijks and Cramers, 1974N2; Column length: 100. m; Column diameter: 0.25 mm
CapillarySqualane70.682.Rijks and Cramers, 1974N2; Column length: 100. m; Column diameter: 0.25 mm
CapillaryOV-10150.689.Pacáková, Hoch, et al., 197325. m/0.25 mm/1.39 μm, N2
CapillaryOV-10160.689.Pacáková, Hoch, et al., 197325. m/0.25 mm/1.39 μm, N2
CapillarySqualane100.683.Sojak, Hrivnak, et al., 1973 
CapillarySqualane115.684.Sojak, Hrivnak, et al., 1973 
CapillarySqualane86.683.Sojak, Hrivnak, et al., 1973 
CapillaryApiezon L100.689.4Eisen, Orav, et al., 1972Column length: 45. m; Column diameter: 0.25 mm
CapillarySqualane60.682.1Eisen, Orav, et al., 1972Column length: 80. m; Column diameter: 0.25 mm
CapillarySqualane60.682.Orav and Eisen, 1972Column length: 80. m; Column diameter: 0.25 mm
PackedSE-3075.685.Robinson and Odell, 1971N2, Chromosorb W; Column length: 6.1 m
PackedSqualane100.683.Robinson and Odell, 1971N2, Embacel; Column length: 3.0 m
CapillarySqualane115.683.5Soják and Bucinská, 1970N2; Column length: 200. m; Column diameter: 0.2 mm
CapillarySqualane86.682.8Soják and Bucinská, 1970N2; Column length: 200. m; Column diameter: 0.2 mm
CapillarySqualane40.683.Matukuma, 1969N2; Column length: 91.4 m; Column diameter: 0.25 mm
PackedApiezon L100.687.Brown, Chapman, et al., 1968N2, DCMS-treated Chromosorb W; Column length: 2.3 m
PackedApiezon L150.690.Brown, Chapman, et al., 1968N2, DCMS-treated Chromosorb W; Column length: 2.3 m
PackedSqualane27.682.Hively and Hinton, 1968He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
PackedSqualane49.682.Hively and Hinton, 1968He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
PackedSqualane67.683.Hively and Hinton, 1968He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
PackedSqualane86.683.Hively and Hinton, 1968He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
CapillarySqualane70.682.Schomburg, 1967Ar; Column length: 100. m
PackedApiezon L130.684.Wehrli and Kováts, 1959Celite; Column length: 2.25 m
PackedApiezon L70.687.Wehrli and Kováts, 1959Celite; Column length: 2.25 m

Kovats' RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-1689.Takeoka, Perrino, et al., 199660. m/0.25 mm/0.25 μm, 30. C @ 4. min, 2. K/min; Tend: 220. C
CapillaryDB-1691.Takeoka, Perrino, et al., 199660. m/0.25 mm/0.25 μm, 30. C @ 4. min, 2. K/min; Tend: 220. C
CapillaryOV-101685.Hayes and Pitzer, 1982110. m/0.25 mm/0.20 μm, He, 1. K/min; Tstart: 35. C; Tend: 200. C

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

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Column type Active phase I Reference Comment
CapillaryPetrocol DH-100688.5Haagen-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-1695.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

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Column type Active phase Temperature (C) I Reference Comment
CapillaryPEG 4000100.751.Rang, Orav, et al., 1988 
CapillaryPEG 4000110.751.Rang, Orav, et al., 1988 
CapillaryPEG 400060.747.Rang, Orav, et al., 1988 
CapillaryPEG 400070.748.Rang, Orav, et al., 1988 
CapillaryPEG 400080.749.Rang, Orav, et al., 1988 
PackedCarbowax 20M80.731.Szabó and Jánosi, 1979Ar, Chromosorb W; Column length: 1.5 m
CapillaryPolyethylene Glycol 400050.747.7Eisen, Orav, et al., 1972Column length: 80. m; Column diameter: 0.25 mm
CapillaryPolyethylene Glycol 400060.747.3Eisen, Orav, et al., 1972Column length: 80. m; Column diameter: 0.25 mm
CapillaryPolyethylene Glycol 400080.749.0Eisen, Orav, et al., 1972Column length: 80. m; Column diameter: 0.25 mm
CapillaryPEG 400060.747.3Orav and Eisen, 1972Column length: 80. m; Column diameter: 0.25 mm
CapillaryPEG 400050.747.7Orav and Eisen, 1972Column length: 80. m; Column diameter: 0.25 mm
CapillaryPEG 400080.749.Orav and Eisen, 1972Column length: 80. m; Column diameter: 0.25 mm

Kovats' RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-Wax741.Umano and Shibamoto, 1987He, 40. C @ 10. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 200. C

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

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Column type Active phase I Reference Comment
CapillaryDB-5695.Flamini, Luigi Cioni, et al., 200330. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 240. C
CapillaryDB-5688.0Song, Lai, et al., 200330. m/0.25 mm/0.25 μm, He, 2. K/min; Tstart: 40. C; Tend: 310. C
CapillaryDB-5689.0Song, Lai, et al., 200330. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 40. C; Tend: 310. C
CapillaryDB-5689.4Song, Lai, et al., 200330. m/0.25 mm/0.25 μm, He, 6. K/min; Tstart: 40. C; Tend: 310. C
CapillaryDB-5690.9Xu, van Stee, et al., 200330. m/0.25 mm/1. μm, He, 2.5 K/min; Tstart: 50. C; Tend: 200. C
CapillaryMethyl Silicone689.3Soják, Addová, et al., 2002He, 1. K/min; Column length: 150. m; Column diameter: 0.250 mm; Tstart: 30. C; Tend: 200. C
CapillarySPB-1690.Larráyoz, Addis, et al., 200130. m/0.32 mm/4. μm, He, 45. C @ 13. min, 5. K/min, 240. C @ 5. min
CapillaryDB-5688.Lai and Song, 199530. m/0.25 mm/0.25 μm, He, 2. K/min; Tstart: 40. C; Tend: 310. C
CapillaryDB-5689.Lai and Song, 199530. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 40. C; Tend: 310. C
CapillaryDB-5689.4Lai and Song, 199530. m/0.25 mm/0.25 μm, He, 6. K/min; Tstart: 40. C; Tend: 310. C
CapillaryPetrocol DH686.White, Hackett, et al., 1992100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C
CapillaryUltra-1689.01Haynes and Pitzer, 198550. m/0.22 mm/0.33 μm, He, 1. K/min; Tstart: -30. C; Tend: 240. C
CapillaryUltra-1689.10Haynes and Pitzer, 198550. m/0.22 mm/0.33 μm, He, 2. K/min; Tstart: -30. C; Tend: 240. C
CapillaryUltra-1689.22Haynes and Pitzer, 198550. m/0.22 mm/0.33 μm, He, 3. K/min; Tstart: -30. C; Tend: 240. C
CapillaryUltra-2691.74Haynes and Pitzer, 198550. m/0.22 mm/0.33 μm, He, 1. K/min; Tstart: -30. C; Tend: 240. C
CapillaryUltra-2691.87Haynes and Pitzer, 198550. m/0.22 mm/0.33 μm, He, 2. K/min; Tstart: -30. C; Tend: 240. C
CapillaryUltra-2691.94Haynes and Pitzer, 198550. m/0.22 mm/0.33 μm, He, 3. K/min; Tstart: -30. C; Tend: 240. C
CapillaryOV-101685.Hayes and Pitzer, 1981108. m/0.25 mm/0.2 μm, 1. K/min; Tstart: 35. C; Tend: 200. C
CapillaryChromosorb 101699.Voorhees, Hileman, et al., 197510. K/min; Tstart: 0. C; Tend: 220. C

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

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-5688.Zaikin and Borisov, 2002He; Column length: 30. m; Column diameter: 0.25 mm; Program: 30C => 5K/min=120C => 10C/min => 270C
PackedSE-30685.Peng, Ding, et al., 1988Supelcoport; Chromosorb; Column length: 3.05 m; Program: 40C(5min) => 10C/min => 200C or 250C (60min)

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

View large format table.

Column type Active phase I Reference Comment
CapillarySupelcowax-10736.Elmore, Nisyrios, et al., 200560. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 4. K/min; Tend: 280. C

Normal alkane RI, non-polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
CapillarySqualane40.681.3Sojak, Addova, et al., 2000He; Column length: 93. m; Column diameter: 0.25 mm
CapillaryOV-10140.683.Li and Deng, 1998N2; Column length: 51. m; Column diameter: 0.25 mm
CapillaryMethyl Silicone50.682.N/AN2; Column length: 74.6 m; Column diameter: 0.28 mm
CapillarySqualane70.682.Schomburg, 1966 

Normal alkane RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryPolydimethyl siloxane: CP-Sil 5 CB693.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 DH687.Supelco, 2012100. m/0.25 mm/0.50 μm, Helium, 20. C @ 15. min, 15. K/min, 220. C @ 30. min
CapillaryUltra-ALLOY-5689.Tsuge, Ohtan, et al., 201130. m/0.25 mm/0.25 μm, 40. C @ 2. min, 20. K/min, 320. C @ 13. min
CapillaryUltra-ALLOY-5690.Tsuge, Ohtan, et al., 201130. m/0.25 mm/0.25 μm, 40. C @ 2. min, 20. K/min, 320. C @ 13. min
CapillaryUltra-ALLOY-5693.Tsuge, Ohtan, et al., 201130. m/0.25 mm/0.25 μm, 40. C @ 2. min, 20. K/min, 320. C @ 13. min
CapillaryPetrocol DH686.Sojak, Kubinec, et al., 2006150. m/0.25 mm/1.0 μm, 1. K/min; Tstart: 40. C; Tend: 300. C
CapillaryMDN-5689.van Loon, Linssen, et al., 200560. m/0.25 mm/0.25 μm, He, 40. C @ 4. min, 4. K/min, 270. C @ 5. min
CapillaryDB-5MS687.Shoenmakers, Oomen, et al., 200030. m/0.25 mm/0.25 μm, He, 40. C @ 1. min, 3. K/min; Tend: 250. C
CapillaryMethyl Silicone683.76Baraldi, Rapparini, et al., 199960. m/0.25 mm/0.25 μm, 40. C @ 10. min, 5. K/min; Tend: 220. C
CapillaryOV-101689.Orav, Kailas, et al., 199950. m/0.20 mm/0.50 μm, Helium, 30. C @ 6. min, 1. K/min; Tend: 100. C
CapillarySE-54686.Guan, Li, et al., 199560. C @ 2. min, 4. K/min; Column length: 50. m; Column diameter: 0.32 mm; Tend: 200. C
CapillaryHP-5691.Larsen and Frisvad, 199535. C @ 2. min, 6. K/min; Tend: 200. C
CapillaryHP-5689.Larsen and Frisvad, 1995, 235. C @ 2. min, 6. K/min; Tend: 200. C
CapillaryDB-1689.Ramnas, Ostermark, et al., 199450. m/0.32 mm/1.0 μm, He, 2. K/min; Tstart: -20. C
CapillaryDB-5694.Macku and Shibamoto, 1991He, 40. C @ 5. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 160. C
CapillaryDB-5693.Macku and Shibamoto, 1991, 2He, 40. C @ 5. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 160. C
CapillaryOV-101689.Zenkevich and Ventura, 1991Helium, 50. C @ 0. min, 5. K/min, 240. C @ 0. min; Column length: 54. m; Column diameter: 0.26 mm
CapillarySE-30687.Hackett, Gibbon, et al., 1985He, 20. C @ 4. min, 2. K/min, 260. C @ 16. min; Column length: 50. m; Column diameter: 0.25 mm
CapillarySP-2100686.Alencar, Alves, et al., 1983He, 4. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tstart: 40. C; Tend: 250. C

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

View large format table.

Column type Active phase I Reference Comment
CapillaryMethyl Silicone683.Chen and Feng, 2007Program: not specified
CapillaryDB-5 MS684.Liu, Xu, et al., 200760. m/0.32 mm/1.0 μm, Helium; Program: 40 0C (2 min) 6 0C/min -> 100 0C 4 0C/min -> 180 0C 8 0C/min -> 250 0C (12 min)
CapillaryPolydimethyl siloxane683.Junkes, Castanho, et al., 2003Program: not specified
CapillaryMethyl Silicone684.N/AProgram: not specified
CapillaryDB-5 MS700.Luo and Agnew, 200130. m/0.25 mm/1.0 μm, Helium; Program: not specified
CapillaryDB-1689.Zhu and Wang, 2001Program: not specified
CapillarySPB-1690.Flanagan, Streete, et al., 199760. m/0.53 mm/5. μm, He; Program: 40C(6min) => 5C/min => 80C => 10C/min => 200C
CapillaryDB-1687.Ciccioli, Cecinato, et al., 199460. m/0.32 mm/0.25 μm; Program: not specified
CapillaryDB-1687.Ciccioli, Brancaleoni, et al., 199360. m/0.32 mm/0.25 μm; Program: 3 min at 5 C; 5 - 50 C at 3 deg/min; 50 - 220 C at 5 deg/min
CapillarySPB-1690.Strete, Ruprah, et al., 199260. m/0.53 mm/5.0 μm, Helium; Program: 40 0C (6 min) 5 0C/min -> 80 0C 10 0C/min -> 200 0C
CapillaryOV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.689.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified
PackedSE-30692.Robinson and Odell, 1971N2, Chromosorb W; Column length: 6.1 m; Program: 50C910min) => 20C/min => 90(6min) => 10C/min => 150C(hold)
PackedSE-30692.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)
PackedSqualane681.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
CapillaryDB-Wax740.Horiuchi, Umano, et al., 199860. m/0.25 mm/1. μm, He, 3. K/min, 200. C @ 40. min; Tstart: 50. C
CapillaryDB-Wax750.Chung, Eiserich, et al., 199360. C @ 4. min, 3. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 220. C

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics 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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Rockenfeller and Rossini, 1961
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Orav, A.; Eisen, O., The retention indexes for alkenes, alkynes and cyclenes on capillary columns, Izv. Akad. Nauk Est. SSR, Khim. Geol., 1972, 21, 1, 39-47. [all data]

Robinson and Odell, 1971
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Notes

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