Heptane, 3-methyl-

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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
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow

Quantity Value Units Method Reference Comment
Δfgas-212.6 ± 1.1kJ/molCcbProsen and Rossini, 1945ALS
Quantity Value Units Method Reference Comment
gas465.89 ± 0.84J/mol*KN/AFinke H.L., 1973GT

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
132.67200.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
172.30273.15
185.8 ± 0.5298.15
186.82300.
240.16400.
287.82500.
328.03600.
362.33700.
391.20800.
415.47900.
436.391000.
454.381100.
470.281200.
485.341300.
497.901400.
510.451500.

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, NIST Free Links, References, Notes

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

Data compiled as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Δfliquid-252.5 ± 1.1kJ/molCcbProsen and Rossini, 1945ALS
Quantity Value Units Method Reference Comment
Δcliquid-5468.2 ± 1.3kJ/molCcbProsen and Rossini, 1945Corresponding Δfliquid = -252.4 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
liquid362.6J/mol*KN/AFinke and Messerly, 1973Thermodynamic properties calculated from a Debye function at 10 K.; DH

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
250.20298.15Finke and Messerly, 1973T = 10 to 380 K.; DH
249.66298.15Osborne and Ginnings, 1947T = 293 to 318 K.; DH

Phase change data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry 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:
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
Tboil392. ± 1.KAVGN/AAverage of 27 out of 28 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus152. ± 1.KAVGN/AAverage of 15 out of 16 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple152.65KN/AFinke and Messerly, 1973, 2Uncertainty assigned by TRC = 0.008 K; by exatroplation to 1/f = 0; TRC
Quantity Value Units Method Reference Comment
Tc563.6 ± 0.5KN/ADaubert, 1996 
Tc563.7KN/AMajer and Svoboda, 1985 
Tc563.60KN/AMcMicking and Kay, 1965Uncertainty assigned by TRC = 0.4 K; TRC
Quantity Value Units Method Reference Comment
Pc25.5 ± 0.4barN/ADaubert, 1996 
Pc25.460barN/AMcMicking and Kay, 1965Uncertainty assigned by TRC = 0.4053 bar; TRC
Quantity Value Units Method Reference Comment
Vc0.464l/molN/ADaubert, 1996 
Quantity Value Units Method Reference Comment
ρc2.15 ± 0.04mol/lN/ADaubert, 1996 
ρc2.15mol/lN/AMcMicking and Kay, 1965Uncertainty assigned by TRC = 0.04 mol/l; TRC
Quantity Value Units Method Reference Comment
Δvap39.88kJ/molN/AMajer and Svoboda, 1985 
Δvap39.8 ± 0.2kJ/molCAn, Hu, et al., 1987AC
Δvap39.8kJ/molN/AReid, 1972AC
Δvap39.8 ± 0.1kJ/molCOsborne and Ginnings, 1947, 2AC
Δvap39.83kJ/molCOsborne and Ginnings, 1947ALS

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
33.66392.1N/AMajer and Svoboda, 1985 
40.1301.AStephenson and Malanowski, 1987Based on data from 286. to 393. K.; AC
41.6271.IPStephenson and Malanowski, 1987Based on data from 238. to 286. K. See also Osborn and Douslin, 1974.; AC
38.3331.MMWillingham, Taylor, et al., 1945Based on data from 316. to 393. 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
238. to 288.4.512481568.919-40.686Osborn and Douslin, 1974Coefficents calculated by NIST from author's data.
315.82 to 392.964.024351331.53-60.555Williamham, Taylor, et al., 1945 

Enthalpy of fusion

ΔfusH (kJ/mol) Temperature (K) Reference Comment
11.67152.6Domalski and Hearing, 1996AC

Enthalpy of phase transition

ΔHtrs (kJ/mol) Temperature (K) Initial Phase Final Phase Reference Comment
11.694152.6574crystaline, IliquidFinke and Messerly, 1973DH

Entropy of phase transition

ΔStrs (J/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
7.665152.6574crystaline, IliquidFinke and Messerly, 1973DH

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

Octane = Heptane, 3-methyl-

By formula: C8H18 = C8H18

Quantity Value Units Method Reference Comment
Δr-2.6 ± 0.79kJ/molCisoProsen and Rossini, 1945, 2liquid phase; Calculated from ΔHc

1-Heptene, 5-methyl- + Hydrogen = Heptane, 3-methyl-

By formula: C8H16 + H2 = C8H18

Quantity Value Units Method Reference Comment
Δr-124.6 ± 0.6kJ/molChydRogers, Dejroongruang, et al., 1992liquid phase; solvent: Cyclohexane

Heptane, 2-methyl- = Heptane, 3-methyl-

By formula: C8H18 = C8H18

Quantity Value Units Method Reference Comment
Δr1.86 ± 0.42kJ/molEqkRoganov, Kabo, et al., 1972gas phase; At 1368 K

Henry's Law data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry 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
0.00027 QN/A missing citation give several references for the Henry's law constants but don't assign them to specific species.
0.00027 LN/A 

IR Spectrum

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Mass spectrum (electron ionization), Gas Chromatography, NIST Free Links, References, Notes

Data compiled by: Coblentz Society, Inc.

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


Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, IR Spectrum, Gas Chromatography, NIST Free Links, References, Notes

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

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

Spectrum

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Mass spectrum
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Additional Data

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Due to licensing restrictions, this spectrum cannot be downloaded.

Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin NIST Mass Spectrometry Data Center
NIST MS number 343688

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


Gas Chromatography

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, IR Spectrum, Mass spectrum (electron ionization), NIST Free Links, References, Notes

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

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

Kovats' RI, non-polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
CapillaryOV-10160.773.8Chen, Liang, et al., 2001He; Column length: 50. m; Column diameter: 0.25 mm
CapillarySqualane100.773.Heinzen, Soares, et al., 1999 
CapillaryOV-1010.772.Skrbic, 1997 
CapillaryCP Sil 260.763.5Estel, Mohnke, et al., 1995100. m/0.25 mm/0.25 μm
CapillaryCP Sil 260.771.9Estel, Mohnke, et al., 1995100. m/0.25 mm/0.25 μm
CapillaryOV-101150.776.6Cha and Lee, 1994Column length: 20. m; Column diameter: 0.5 mm
CapillaryOV-101180.778.0Cha and Lee, 1994Column length: 20. m; Column diameter: 0.5 mm
CapillarySqualane25.772.Hilal, Carreira, et al., 1994 
CapillaryMethyl Silicone40.774.Takeda, 1991Column length: 50. m; Column diameter: 0.20 mm
CapillaryMethyl Silicone80.775.Takeda, 1991Column length: 50. m; Column diameter: 0.20 mm
CapillaryOV-160.774.Engewald, Maurer, et al., 1989 
CapillaryOV-10140.772.Laub and Purnell, 1988 
CapillaryOV-10160.773.Laub and Purnell, 1988 
CapillaryOV-10180.774.Laub and Purnell, 1988 
CapillarySqualane50.772.Lunskii and Paizanskaya, 1988He; Column length: 50. m; Column diameter: 0.22 mm
CapillarySqualane70.772.8Lunskii and Paizanskaya, 1988He; Column length: 50. m; Column diameter: 0.22 mm
CapillaryOV-10140.773.3Boneva and Dimov, 1986100. m/0.27 mm/0.9 μm
CapillaryOV-10150.773.5Boneva and Dimov, 1986100. m/0.27 mm/0.9 μm
CapillaryOV-10160.773.9Boneva and Dimov, 1986100. m/0.27 mm/0.9 μm
CapillaryOV-10170.774.1Boneva and Dimov, 1986100. m/0.27 mm/0.9 μm
CapillaryOV-10130.772.Chien, Furio, et al., 1983 
CapillaryOV-10140.772.Chien, Furio, et al., 1983 
CapillaryOV-10150.772.Chien, Furio, et al., 1983 
CapillaryOV-10160.773.Chien, Furio, et al., 1983 
CapillaryOV-10170.773.Chien, Furio, et al., 1983 
CapillaryOV-10180.774.Chien, Furio, et al., 1983 
CapillaryDB-160.774.2Lubeck and Sutton, 1983Column length: 60. m; Column diameter: 0.264 mm
CapillaryDB-160.774.3Lubeck and Sutton, 198360. m/0.259 mm/1. μm
CapillaryOV-150.773.Anders, Scheller, et al., 1982Column length: 55. m; Column diameter: 0.21 mm
CapillaryOV-10150.774.Johansen and Ettre, 1982100. m/0.27 mm/0.20 μm
CapillaryOV-10150.774.Johansen and Ettre, 198255. m/0.27 mm/0.9 μm
CapillarySF-9650.773.Johansen and Ettre, 198291.4 m/0.31 mm/0.20 μm
CapillaryOV-160.762.Nijs and Jacobs, 1981He; Column length: 150. m; Column diameter: 0.50 mm
PackedTriacontane80.772.Castello and D'Amato, 1979He, Chromosorb W AW (60-80 mesh); Column length: 3. m
PackedSqualane80.773.Castello and D'Amato, 1979He, Chromosorb W AW (60-80 mesh); Column length: 3. m
PackedOV-180.774.Dimov and Papazova, 1979Chromosorb W AW DMCS (80-100 mesh); Column length: 4. m
PackedSE-3080.775.Dimov and Papazova, 1979Chromosorb W AW DMCS (80-100 mesh); Column length: 4. m
CapillarySqualane86.772.6Nabivach and Kirilenko, 1979N2; Column length: 50. m
CapillarySqualane86.773.0Nabivach and Kirilenko, 1979N2; Column length: 50. m
CapillarySqualane70.772.8Nabivach and Kirilenko, 1979N2; Column length: 50. m
CapillarySqualane70.773.0Nabivach and Kirilenko, 1979N2; Column length: 50. m
CapillarySqualane60.773.Chretien and Dubois, 1976 
CapillarySqualane100.772.Lulova, Leont'eva, et al., 1976He; Column length: 120. m; Column diameter: 0.25 mm
CapillarySqualane100.772.Lulova, Leont'eva, et al., 1976He; Column length: 120. m; Column diameter: 0.25 mm
CapillarySqualane50.772.Rijks and Cramers, 1974N2; Column length: 100. m; Column diameter: 0.25 mm
CapillarySqualane70.773.Rijks and Cramers, 1974N2; Column length: 100. m; Column diameter: 0.25 mm
PackedSF-96100.775.11Castello, Berg, et al., 1973Chromosorb P(DMCS); Column length: 4. m
PackedSF-96110.775.75Castello, Berg, et al., 1973Chromosorb P(DMCS); Column length: 4. m
PackedSF-96120.776.18Castello, Berg, et al., 1973Chromosorb P(DMCS); Column length: 4. m
PackedSF-9680.774.38Castello, Berg, et al., 1973Chromosorb P(DMCS); Column length: 4. m
PackedSF-9690.774.76Castello, Berg, et al., 1973Chromosorb P(DMCS); Column length: 4. m
CapillaryOV-10150.773.Pacáková, Hoch, et al., 197325. m/0.25 mm/1.39 μm, N2
CapillaryOV-10150.774.Pacáková, Hoch, et al., 197325. m/0.25 mm/1.39 μm, N2
CapillaryOV-10160.774.Pacáková, Hoch, et al., 197325. m/0.25 mm/1.39 μm, N2
CapillaryOV-10160.774.Pacáková, Hoch, et al., 197325. m/0.25 mm/1.39 μm, N2
CapillarySqualane40.772.Schomburg and Dielmann, 1973Column length: 100. m; Column diameter: 0.25 mm
CapillaryVacuum Grease Oil (VM-4)35.770.Sidorov, Petrova, et al., 1972 
CapillaryVacuum Grease Oil (VM-4)45.771.Sidorov, Petrova, et al., 1972 
CapillaryVacuum Grease Oil (VM-4)50.771.Sidorov, Petrova, et al., 1972 
CapillaryVacuum Grease Oil (VM-4)58.771.Sidorov, Petrova, et al., 1972 
CapillaryVacuum Grease Oil (VM-4)68.772.Sidorov, Petrova, et al., 1972 
CapillarySqualane70.772.2Dimov and Schopov, 1971Column length: 100. m; Column diameter: 0.25 mm
PackedSE-3075.775.Robinson and Odell, 1971N2, Chromosorb W; Column length: 6.1 m
PackedSqualane100.774.Robinson and Odell, 1971N2, Embacel; Column length: 3.0 m
PackedSqualane50.773.Takács, Szita, et al., 1971N2, Chromosorb W; Column length: 3. m
CapillarySqualane70.772.Cramers, Rijks, et al., 1970Column length: 100. m; Column diameter: 0.25 mm
CapillarySqualane70.773.Cramers, Rijks, et al., 1970Column length: 100. m; Column diameter: 0.25 mm
CapillarySqualane70.773.Cramers, Rijks, et al., 1970Column length: 100. m; Column diameter: 0.25 mm
PackedSE-3080.775.Mitra and Saha, 1970N2
PackedSqualane25.770.Mitra and Saha, 1970N2
PackedSqualane80.773.Mitra and Saha, 1970N2
CapillarySqualane40.772.Matukuma, 1969N2; Column length: 91.4 m; Column diameter: 0.25 mm
PackedSqualane27.772.Hively and Hinton, 1968He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
PackedSqualane49.772.Hively and Hinton, 1968He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
PackedSqualane67.772.Hively and Hinton, 1968He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
PackedSqualane86.774.Hively and Hinton, 1968He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
PackedSqualane30.773.Tourres, 1967H2; Column length: 10. m
PackedSqualane50.773.5Tourres, 1967H2; Column length: 10. m
CapillarySqualane30.772.Tourres, 1967, 2H2; Column length: 100. m; Column diameter: 0.25 mm
CapillarySqualane50.773.Tourres, 1967, 2H2; Column length: 100. m; Column diameter: 0.25 mm
CapillarySqualane70.774.Tourres, 1967, 2H2; Column length: 100. m; Column diameter: 0.25 mm
PackedSE-3070.774.Widmer, 1967Diatoport S; Column length: 7.9 m
PackedSqualane100.774.Evans, 1966Untreated celite; Column length: 1.8 m
PackedSqualane22.769.Evans, 1966Untreated celite; Column length: 1.8 m
PackedSqualane40.772.Evans, 1966Untreated celite; Column length: 1.8 m
PackedSqualane55.773.Evans, 1966Untreated celite; Column length: 1.8 m
PackedSqualane60.772.Evans, 1966Untreated celite; Column length: 1.8 m
PackedSqualane70.773.Evans, 1966Untreated celite; Column length: 1.8 m
PackedSqualane80.773.Evans, 1966Untreated celite; Column length: 1.8 m

Kovats' RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillarySE-54770.Rembold, Wallner, et al., 198930. m/0.25 mm/0.25 μm, He, 0. C @ 12. min, 12. K/min; Tend: 250. C
CapillaryOV-101769.Hayes and Pitzer, 1982110. m/0.25 mm/0.20 μm, He, 1. K/min; Tstart: 35. C; Tend: 200. C
CapillaryApiezon L769.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-100771.7Haagen-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-1776.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

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

View large format table.

Column type Active phase I Reference Comment
CapillarySPB-5773.Engel and Ratel, 200760. m/0.32 mm/1. μm, 40. C @ 2. min, 3. K/min, 230. C @ 10. min
CapillaryHP-5783.Insausti, Goñi, et al., 200550. m/0.32 mm/1.05 μm, He, 35. C @ 15. min, 8. K/min, 220. C @ 5. min
CapillaryPetrocol DH774.3Censullo, Jones, et al., 200350. m/0.25 mm/0.5 μm, He, 35. C @ 10. min, 3. K/min, 200. C @ 10. min
CapillarySPB-1769.27LECO Corporation, 200330. m/0.25 mm/0.25 μm, 40. C @ 2. min, 10. K/min, 250. C @ 2. min
CapillarySPB-1769.73LECO Corporation, 200330. m/0.25 mm/0.25 μm, 40. C @ 2. min, 10. K/min, 250. C @ 2. min
CapillarySPB-1764.58LECO Corporation, 200330. m/0.25 mm/0.25 μm, 40. C @ 2. min, 10. K/min, 250. C @ 2. min
CapillaryDB-5770.8Xu, van Stee, et al., 200330. m/0.25 mm/1. μm, He, 2.5 K/min; Tstart: 50. C; Tend: 200. C
CapillaryOV-101772.1Yin, Liu, et al., 2001N2, 1. K/min; Column length: 80. m; Column diameter: 0.22 mm; Tstart: 30. C; Tend: 130. C
CapillaryPONA768.7Martos, Saraullo, et al., 199750. m/0.2 mm/0.5 μm, 35. C @ 0.5 min, 1. K/min, 220. C @ 8. min
CapillaryPONA769.0Martos, Saraullo, et al., 199750. m/0.2 mm/0.5 μm, 35. C @ 0.5 min, 1. K/min, 220. C @ 8. min
CapillaryPetrocol DH770.31Subramaniam, Bochniak, et al., 1994100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C
CapillaryPetrocol DH771.67Subramaniam, Bochniak, et al., 1994100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C
CapillaryPetrocol DH770.68White, Douglas, et al., 1992100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C
CapillaryPetrocol DH770.98White, Douglas, et al., 1992100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C
CapillaryPetrocol DH771.White, Hackett, et al., 1992100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C
CapillaryMethyl Silicone771.Takeda, 199120. C @ 5. min, 2. K/min; Column length: 50. m; Column diameter: 0.20 mm; Tend: 250. C
CapillaryHP-1773.7Bangjie, Xijian, et al., 1987N2, 10. K/min; Column length: 25. m; Column diameter: 0.2 mm; Tstart: 30. C
CapillaryHP-1773.3Bangjie, Xijian, et al., 1987N2, 2. K/min; Column length: 25. m; Column diameter: 0.2 mm; Tstart: 30. C
CapillaryHP-1772.9Bangjie, Xijian, et al., 1987N2, 30. C @ 5. min, 5. K/min; Column length: 25. m; Column diameter: 0.2 mm
CapillaryUltra-1773.42Haynes and Pitzer, 198550. m/0.22 mm/0.33 μm, He, 1. K/min; Tstart: -30. C; Tend: 240. C
CapillaryUltra-1773.79Haynes and Pitzer, 198550. m/0.22 mm/0.33 μm, He, 2. K/min; Tstart: -30. C; Tend: 240. C
CapillaryUltra-1774.07Haynes and Pitzer, 198550. m/0.22 mm/0.33 μm, He, 3. K/min; Tstart: -30. C; Tend: 240. C
CapillaryUltra-2773.02Haynes and Pitzer, 198550. m/0.22 mm/0.33 μm, He, 1. K/min; Tstart: -30. C; Tend: 240. C
CapillaryUltra-2773.47Haynes and Pitzer, 198550. m/0.22 mm/0.33 μm, He, 2. K/min; Tstart: -30. C; Tend: 240. C
CapillaryUltra-2773.76Haynes and Pitzer, 198550. m/0.22 mm/0.33 μm, He, 3. K/min; Tstart: -30. C; Tend: 240. C
CapillaryOV-101769.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

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-5767.Zaikin and Borisov, 2002He; Column length: 30. m; Column diameter: 0.25 mm; Program: 30C => 5K/min=120C => 10C/min => 270C
CapillaryMethyl Silicone784.63Hassoun, Pilling, et al., 199950. m/0.25 mm/1. μm, He; Program: -50C(2min) => 49.9C/min => 35C(10min) => 3C/min => 200C(2min) => 40C/min => 240C(30min)
CapillaryOV-101772.Wu and Lu, 1984Program: not specified

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

View large format table.

Column type Active phase I Reference Comment
CapillarySupelcowax-10764.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
CapillaryOV-10140.773.Li and Deng, 1998N2; Column length: 51. m; Column diameter: 0.25 mm
CapillaryMethyl Silicone50.772.N/AN2; Column length: 74.6 m; Column diameter: 0.28 mm
CapillaryOV-10150.773.Wu and Lu, 1984, 2 
CapillaryOV-10170.774.Wu and Lu, 1984, 2 
CapillarySqualane100.774.Dimov N., 1976 
CapillarySqualane70.773.Dimov N., 1976 
CapillarySqualane86.765.Vigdergauz and Martynov, 1971He; Column length: 150. m; Column diameter: 0.35 mm

Normal alkane RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryPolydimethyl siloxane: CP-Sil 5 CB775.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 DH771.Supelco, 2012100. m/0.25 mm/0.50 μm, Helium, 20. C @ 15. min, 15. K/min, 220. C @ 30. min
CapillaryPONA774.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-1772.2Krkosova, Kubinec, et al., 2007100. m/0.32 mm/0.25 μm, Helium, 5. K/min, 310. C @ 5. min; Tstart: 30. C
CapillaryOV-101773.Orav, Kailas, et al., 199950. m/0.20 mm/0.50 μm, Helium, 30. C @ 6. min, 1. K/min; Tend: 100. C
CapillaryOV-101775.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-30770.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
CapillarySF-96777.Donetzhuber, Johansson, et al., 1976Nitrogen, 3. K/min, 130. C @ 40. min; Column length: 111. m; Column diameter: 0.76 mm; Initial hold: 8. min

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

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-1767.Barra, Baldovini, et al., 200750. m/0.2 mm/0.33 μm, He; Program: 40C(2min) => 2C/min => 200C => 15C/min => 250C (30min)
CapillaryMethyl Silicone774.Chen and Feng, 2007Program: not specified
CapillaryMethyl Silicone772.Feng and Mu, 2007Program: not specified
CapillaryMethyl Silicone775.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-101773.Du and Liang, 2003Program: not specified
CapillaryPolydimethyl siloxane773.Junkes, Castanho, et al., 2003Program: not specified
CapillaryPolydimethyl siloxanes772.Yin, Guo, et al., 2001Program: not specified
CapillaryCP-Sil5 CB MS773.Tirillini, Verdelli, et al., 200050. m/0.32 mm/0.4 μm; Program: 0C (3min) => 3C/min => 50C => 5C/min => 220C (30min)
CapillaryMethyl Silicone771.Spieksma, 1999Program: not specified
CapillaryDB-1773.Ciccioli, Cecinato, et al., 199460. m/0.32 mm/0.25 μm; Program: not specified
CapillaryOV-101772.Skrbic and Cvejanov, 1993Program: not specified
CapillarySE-52766.van Langenhove and Schamp, 1986Column length: 100. m; Column diameter: 0.50 mm; Program: not specified
CapillarySE-52775.van Langenhove and Schamp, 1986Column length: 100. m; Column diameter: 0.50 mm; Program: not specified
CapillarySqualane769.Petrov, 1984Program: not specified
CapillaryOV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.774.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified
PackedSE-30777.Robinson and Odell, 1971N2, Chromosorb W; Column length: 6.1 m; Program: 50C910min) => 20C/min => 90(6min) => 10C/min => 150C(hold)
PackedSqualane779.Robinson and Odell, 1971N2, Embacel; Column length: 3.0 m; Program: 25C(5min) => 2C/min => 35 => 4C/min => 95C(hold)
PackedSE-30777.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)
PackedSqualane779.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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Notes

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