Benzene, 1,2,4,5-tetramethyl-

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Henry's Law 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-11.3 ± 0.45kcal/molCcbColomina, Jimenez, et al., 1989see Boned, Colomina, et al., 1964; ALS
Δfgas-11.21 ± 0.43kcal/molCcbDraeger, 1985Unpublished measurments of W.D.Good; ALS
Δfgas-10.8kcal/molN/AGood, 1975Value computed using ΔfHsolid° value of -119.9±1.3 kj/mol from Good, 1975 and ΔsubH° value of 74.6 kj/mol from Colomina, Jimenez, et al., 1989.; DRB

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
33.27200.Draeger, 1985There is an appreciable difference between values of S(T) and Cp(T) for tetra-, penta-, and hexamethylbenzene from earlier statistical thermodynamics calculation [ Hastings S.H., 1957] and those obtained by [ Draeger, 1985] (up to 5, 9, and 16 J/mol*K, respectively). Results [ Draeger, 1985] are more reliable and they agree with experimental data for hexamethylbenzene.; GT
41.01273.15
43.76 ± 0.1298.15
43.98300.
55.14400.
65.46500.
74.43600.
82.03700.
88.53800.
94.10900.
98.881000.
103.01100.
106.51200.
109.51300.
112.21400.
114.41500.

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, Phase change data, Henry's Law 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
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Δfliquid-23.58 ± 0.71kcal/molCcbProsen, Johnson, et al., 1946ALS
Quantity Value Units Method Reference Comment
Δcliquid-1395.16 ± 0.72kcal/molCcbProsen, Johnson, et al., 1946Corresponding Δfliquid = -23.56 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Δcliquid-1388.4 ± 1.4kcal/molCcbBanse and Parks, 1933Reanalyzed by Cox and Pilcher, 1970, Original value = -1387.44 kcal/mol; Corresponding Δfliquid = -30.32 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
liquid58.70cal/mol*KN/AHuffman, Parks, et al., 1931Extrapolation below 90 K, 76.69 J/mol*K.; DH
Quantity Value Units Method Reference Comment
Δfsolid-29.09 ± 0.45kcal/molCcbColomina, Jimenez, et al., 1989see Boned, Colomina, et al., 1964; ALS
Δfsolid-28.65 ± 0.31kcal/molCcbGood, 1975ALS
Quantity Value Units Method Reference Comment
Δcsolid-1389.6 ± 0.33kcal/molCcbColomina, Jimenez, et al., 1989see Boned, Colomina, et al., 1964; Corresponding Δfsolid = -29.09 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Δcsolid-1390.07 ± 0.29kcal/molCcbGood, 1975Corresponding Δfsolid = -28.65 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
65.89353.Kurbatov, 1947T = 80 to 193°C, mean Cp, three temperatures.; DH
52.61298.1Eibert, 1944T = 25 to 200°C, equations only in t°C. Cp(c) = 0.3662 + 0.001033t cal/g*K (25 to 45°C); Cp(liq) = 0.424 + 0.000589t cal/g*K (79 to 200°C).; DH
51.41297.1Huffman, Parks, et al., 1931T = 92 to 297.1 K. Value is unsmoothed experimental datum.; DH

Constant pressure heat capacity of solid

Cp,solid (cal/mol*K) Temperature (K) Reference Comment
48.762298.15Colomina, Jimenez, et al., 1989DH
51.53303.15Ferry and Thomas, 1933T = 303 to 393 K.; 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
DRB - Donald R. Burgess, Jr.
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tboil470. ± 4.KAVGN/AAverage of 7 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus352.6 ± 0.9KAVGN/AAverage of 16 values; Individual data points
Quantity Value Units Method Reference Comment
Tc676.KN/ATsonopoulos and Ambrose, 1995 
Tc675.65KN/AGuye and Mallet, 1902Uncertainty assigned by TRC = 2. K; TRC
Quantity Value Units Method Reference Comment
Pc29.atmN/ATsonopoulos and Ambrose, 1995 
Pc28.600atmN/AGuye and Mallet, 1902Uncertainty assigned by TRC = 1.5000 atm; TRC
Quantity Value Units Method Reference Comment
Δsub17.5 ± 0.6kcal/molAVGN/AAverage of 6 values; Individual data points

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
11.4 ± 0.07375.DMBlok, van Genderen, et al., 2001Based on data from 363. to 381. K.; AC
11.8368.AStephenson and Malanowski, 1987Based on data from 353. to 500. K.; AC

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
318. to 469.12.9147908.263-160.447Stull, 1947Coefficents calculated by NIST from author's data.

Enthalpy of sublimation

ΔsubH (kcal/mol) Temperature (K) Method Reference Comment
17.0333.ABalson, Denbigh, et al., 1947Based on data from 318. to 348. K.; AC

Enthalpy of fusion

ΔfusH (kcal/mol) Temperature (K) Reference Comment
4.990352.4Domalski and Hearing, 1996AC
4.9904352.4Eibert, 1944DH
5.1004352.05Ferry and Thomas, 1933DH

Entropy of fusion

ΔfusS (cal/mol*K) Temperature (K) Reference Comment
14.2352.4Eibert, 1944DH

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:


Henry's Law data

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

Data compiled by: Rolf Sander

Henry's Law constant (water solution)

kH(T) = H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
H = Henry's law constant for solubility in water at 298.15 K (mol/(kg*bar))
d(ln(kH))/d(1/T) = Temperature dependence constant (K)

H (mol/(kg*bar)) d(ln(kH))/d(1/T) (K) Method Reference Comment
0.039 QN/A missing citation give several references for the Henry's law constants but don't assign them to specific species.
0.040 LN/A 

Gas phase ion energetics 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, 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:
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
B - John E. Bartmess

Quantity Value Units Method Reference Comment
IE (evaluated)8.06 ± 0.03eVN/AN/AL

Electron affinity determinations

EA (eV) Method Reference Comment
<0.048 ± 0.017ECDWojnarovits and Foldiak, 1981EA is an upper limit: Chen and Wentworth, 1989. G3MP2B3 calculations indicate an EA of ca. -0.1 eV, anion unbound.; B

Ionization energy determinations

IE (eV) Method Reference Comment
8.07PESantiago, Gandour, et al., 1978LLK
8.50 ± 0.05EIMeyer and Harrison, 1964RDSH
8.025 ± 0.005PIWatanabe, Nakayama, et al., 1962RDSH
8.03PIBralsford, Harris, et al., 1960RDSH
8.2CTSFoster, 1959RDSH
8.37CTSBriegleb and Czekalla, 1959RDSH
8.05 ± 0.02PIVilesov and Terenin, 1957RDSH
8.05PEHowell, Goncalves, et al., 1984Vertical value; LBLHLM
8.13PECabelli, Cowley, et al., 1982Vertical value; LBLHLM
8.05PEBock and Kaim, 1978Vertical value; LLK

IR Spectrum

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

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

Gas Phase Spectrum

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IR spectrum
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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, Condensed phase thermochemistry data, Phase change data, Henry's Law 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-1697
NIST MS number 229182

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, Henry's Law 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

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Column type Active phase Temperature (C) I Reference Comment
CapillaryHP-5100.1124.7Pérez-Parajón, Santiuste, et al., 200460. m/0.25 mm/0.25 μm
CapillaryHP-5120.1132.4Pérez-Parajón, Santiuste, et al., 200460. m/0.25 mm/0.25 μm
CapillaryOV-1100.1109.3Zhu, Zhang, et al., 1999Column length: 50. m; Column diameter: 0.25 mm
CapillaryOV-1150.1126.Zhang, Chen, et al., 199725. m/0.2 mm/0.33 μm, N2
CapillaryCP Sil 280.1116.7Estel, Mohnke, et al., 1995100. m/0.25 mm/0.25 μm
CapillaryHP-160.1093.Zhang, Li, et al., 1992N2; Column length: 25. m; Column diameter: 0.20 mm
CapillaryHP-160.1093.Zhang, Li, et al., 1992N2; Column length: 25. m; Column diameter: 0.20 mm
CapillaryHP-1100.1106.Zhang, Li, et al., 1992N2; Column length: 25. m; Column diameter: 0.20 mm
CapillaryHP-1100.1106.Zhang, Li, et al., 1992N2; Column length: 25. m; Column diameter: 0.20 mm
CapillaryOV-1100.1106.1Matisová and Kurán, 199052. m/0.25 mm/0.38 μm, N2
CapillaryOV-1100.1105.6Matisová and Kurán, 199052. m/0.25 mm/0.38 μm, H2
CapillaryPONA100.1106.5Matisová and Kurán, 199050. m/0.2 mm/0.5 μm, H2
CapillaryOV-101100.1106.Matisová, Kovacicová, et al., 1989He; Column length: 50. m; Column diameter: 0.20 mm
CapillaryOV-101120.1113.Matisová, Moravcová, et al., 1988N2; Column length: 278. m; Column diameter: 0.25 mm
CapillaryApolane120.1142.Matisová, Moravcová, et al., 1988N2; Column length: 200. m; Column diameter: 0.25 mm
CapillaryOV-101100.1106.Matisová, Rukríglová, et al., 1988H2; Column length: 278. m; Column diameter: 0.25 mm
CapillaryOV-101100.1106.Matisová, Rukríglová, et al., 1988H2; Column length: 278. m; Column diameter: 0.25 mm
CapillaryOV-101100.1106.Matisová, Rukríglová, et al., 1988H2; Column length: 278. m; Column diameter: 0.25 mm
CapillaryOV-101100.1107.Matisová, Rukríglová, et al., 1988H2; Column length: 278. m; Column diameter: 0.25 mm
CapillaryOV-101100.1107.Matisová, Rukríglová, et al., 1988H2; Column length: 278. m; Column diameter: 0.25 mm
CapillaryOV-101100.1107.Matisová, Rukríglová, et al., 1988H2; Column length: 278. m; Column diameter: 0.25 mm
PackedSE-30150.1125.Tiess, 1984Ar, Gas Chrom Q (80-100 mesh); Column length: 3. m
CapillaryOV-101100.1105.Boneva, Papazova, et al., 1983N2; Column length: 85. m; Column diameter: 0.28 mm
CapillaryOV-101100.1107.Boneva, Papazova, et al., 1983N2; Column length: 85. m; Column diameter: 0.28 mm
CapillaryOV-101100.1105.Boneva, Papazova, et al., 1983N2; Column length: 85. m; Column diameter: 0.28 mm
CapillaryOV-101110.1108.Boneva, Papazova, et al., 1983N2; Column length: 85. m; Column diameter: 0.28 mm
CapillaryOV-10190.1100.Boneva, Papazova, et al., 1983N2; Column length: 85. m; Column diameter: 0.28 mm
CapillarySE-3070.1096.4Tóth, 1983N2; Column length: 15. m; Column diameter: 0.25 mm
CapillarySE-30130.1118.Bredael, 1982Column length: 100. m; Column diameter: 0.5 mm
CapillarySE-3080.1100.Bredael, 1982Column length: 100. m; Column diameter: 0.5 mm
CapillaryOV-101100.1107.Gerasimenko and Nabivach, 1982N2; Column length: 50. m; Column diameter: 0.30 mm
CapillaryOV-101120.1114.Gerasimenko and Nabivach, 1982N2; Column length: 50. m; Column diameter: 0.30 mm
CapillaryOV-101140.1121.Gerasimenko and Nabivach, 1982N2; Column length: 50. m; Column diameter: 0.30 mm
CapillarySqualane86.1102.8Macák, Nabivach, et al., 1982N2; Column length: 50. m; Column diameter: 0.25 mm
CapillarySqualane96.1105.9Macák, Nabivach, et al., 1982N2; Column length: 50. m; Column diameter: 0.25 mm
CapillaryOV-101100.1107.2Gerasimenko, Kirilenko, et al., 1981N2; Column length: 50. m; Column diameter: 0.3 mm
CapillaryOV-101120.1114.4Gerasimenko, Kirilenko, et al., 1981N2; Column length: 50. m; Column diameter: 0.3 mm
CapillaryOV-101140.1121.2Gerasimenko, Kirilenko, et al., 1981N2; Column length: 50. m; Column diameter: 0.3 mm
PackedSqualane100.1106.Nabivach and Kirilenko, 1980He, Chromaton N-AW-HMDS; Column length: 1. m
CapillarySqualane86.1102.8Nabivach, Bur'yan, et al., 1978Column length: 50. m; Column diameter: 0.25 mm
CapillarySqualane96.1105.9Nabivach, Bur'yan, et al., 1978Column length: 50. m; Column diameter: 0.25 mm
CapillarySqualane100.1107.Engewald and Wennrich, 1976N2; Column length: 100. m; Column diameter: 0.23 mm
CapillarySqualane80.1099.53Soják and Rijks, 1976H2; Column length: 100. m; Column diameter: 0.25 mm
PackedSE-30120.1124.Mitra, Mohan, et al., 1974N2, Chrom W; Column length: 6.1 m
PackedSE-30130.1128.Mitra, Mohan, et al., 1974N2, Chrom W; Column length: 6.1 m
PackedSE-30140.1134.Mitra, Mohan, et al., 1974N2, Chrom W; Column length: 6.1 m
CapillarySE-3065.1094.9Svob and Deur-Siftar, 1974He; Column length: 25.5 m; Column diameter: 0.5 mm
PackedApiezon L100.1145.Brown, Chapman, et al., 1968N2, DCMS-treated Chromosorb W; Column length: 2.3 m
PackedMethyl Silicone130.1123.Antheaume and Guiochon, 1965 

Kovats' RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryDB-51114.2Wang, Fingas, et al., 199430. m/0.32 mm/0.25 μm, He, 50. C @ 2. min, 6. K/min; Tend: 300. C
CapillaryApiezon L1147.Louis, 1971N2, 1. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 60. C

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

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Column type Active phase I Reference Comment
CapillaryPetrocol DH-1001104.85Haagen-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-11108.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
CapillaryZB-Wax100.1447.3Pérez-Parajón, Santiuste, et al., 200460. m/0.25 mm/0.25 μm
CapillaryZB-Wax120.1463.0Pérez-Parajón, Santiuste, et al., 200460. m/0.25 mm/0.25 μm
CapillaryZB-Wax140.1480.3Pérez-Parajón, Santiuste, et al., 200460. m/0.25 mm/0.25 μm
CapillaryPEG-20M70.1406.8Tóth, 1983N2; Column length: 30. m; Column diameter: 0.3 mm
CapillaryCarbowax 20M100.1401.3Engewald and Wennrich, 1976N2; Column length: 100. m; Column diameter: 0.23 mm
CapillaryCarbowax 600090.1445.8Svob and Deur-Siftar, 1974He; Column length: 10. m; Column diameter: 0.25 mm

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

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Column type Active phase I Reference Comment
CapillarySPB-51129.Engel and Ratel, 200760. m/0.32 mm/1. μm, 40. C @ 2. min, 3. K/min, 230. C @ 10. min
CapillaryPONA1109.Vendeuvre, Bertoncini, et al., 200550. m/0.2 mm/0.5 μm, 2. K/min; Tstart: 50. C
CapillaryPONA1117.Vendeuvre, Bertoncini, et al., 200550. m/0.2 mm/0.5 μm, 5. K/min; Tstart: 50. C
CapillaryPetrocol DH1109.4Censullo, Jones, et al., 200350. m/0.25 mm/0.5 μm, He, 35. C @ 10. min, 3. K/min, 200. C @ 10. min
CapillaryDB-51109.7Song, Lai, et al., 200330. m/0.25 mm/0.25 μm, He, 2. K/min; Tstart: 40. C; Tend: 310. C
CapillaryDB-51114.1Song, Lai, et al., 200330. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 40. C; Tend: 310. C
CapillaryDB-51115.8Song, Lai, et al., 200330. m/0.25 mm/0.25 μm, He, 6. K/min; Tstart: 40. C; Tend: 310. C
CapillaryDB-51130.2Xu, van Stee, et al., 200330. m/0.25 mm/1. μm, He, 2.5 K/min; Tstart: 50. C; Tend: 200. C
CapillaryOV-11140.0Zhang, Shen, et al., 200025. m/0.2 mm/0.33 μm, 5. K/min; Tstart: 100. C; Tend: 180. C
CapillaryPONA1097.9Martos, Saraullo, et al., 199750. m/0.2 mm/0.5 μm, 35. C @ 0.5 min, 1. K/min, 220. C @ 8. min
CapillaryPONA1101.2Martos, Saraullo, et al., 199750. m/0.2 mm/0.5 μm, 35. C @ 0.5 min, 1. K/min, 220. C @ 8. min
CapillaryDB-51109.7Lai and Song, 199530. m/0.25 mm/0.25 μm, He, 2. K/min; Tstart: 40. C; Tend: 310. C
CapillaryDB-51114.1Lai and Song, 199530. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 40. C; Tend: 310. C
CapillaryDB-51115.8Lai and Song, 199530. m/0.25 mm/0.25 μm, He, 6. K/min; Tstart: 40. C; Tend: 310. C
CapillaryPetrocol DH1101.84White, Douglas, et al., 1992100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C
CapillaryPetrocol DH1102.07White, Douglas, et al., 1992100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C
CapillaryPetrocol DH1102.White, Hackett, et al., 1992100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C
CapillarySPB-11099.Huang, Bruechert, et al., 198760. m/0.25 mm/0.25 μm, He, 35. C @ 10. min, 2. K/min, 235. C @ 40. min
CapillarySPB-11099.Huang, Bruechert, et al., 198760. m/0.25 mm/0.25 μm, He, 35. C @ 10. min, 2. K/min, 235. C @ 40. min

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

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Column type Active phase I Reference Comment
CapillaryMethyl Silicone1110.08Hassoun, 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)

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

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Column type Active phase I Reference Comment
CapillaryCP-Wax 52CB1419.Alasalvar, Taylor, et al., 200560. m/0.25 mm/0.25 μm, 35. C @ 4. min, 3. K/min; Tend: 203. C
CapillarySupelcowax-101417.Chung, Fung, et al., 200560. m/0.25 mm/0.25 μm, 35. C @ 5. min, 6. K/min, 195. C @ 60. min
CapillaryDB-Wax1438.Le Guen, Prost, et al., 200060. m/0.32 mm/0.5 μm, He, 40. C @ 2. min, 4. K/min, 250. C @ 10. min
CapillarySupelcowax-101432.Chung and Cadwallader, 199360. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 2. K/min, 195. C @ 40. min
CapillarySupelcowax-101433.Tanchotikul and Hsieh, 198960. m/0.25 mm/0.25 μm, 40. C @ 5. min, 2. K/min, 175. C @ 20. min
CapillarySupelcowax-101440.Tanchotikul and Hsieh, 198960. m/0.25 mm/0.25 μm, 40. C @ 5. min, 2. K/min, 175. C @ 20. min

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

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Column type Active phase I Reference Comment
CapillaryDB-Wax1400.Hallier, Prost, et al., 200530. m/0.32 mm/0.5 μm, He; Program: 40C(5min) => 10C/min => 160C => 15C/min => 230C

Normal alkane RI, non-polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillaryMethyl Silicone120.1107.Chen and Feng, 2006 
CapillaryMethyl Silicone120.1121.Chen and Feng, 2006 
CapillaryOV-101100.1107.Tian, 1993Column length: 50. m; Column diameter: 0.20 mm
CapillaryOV-101100.1107.Tian, 1993Column length: 50. m; Column diameter: 0.20 mm
CapillaryOV-101120.1114.Tian, 1993Column length: 50. m; Column diameter: 0.20 mm
CapillaryOV-101120.1114.Tian, 1993Column length: 50. m; Column diameter: 0.20 mm
CapillarySqualane100.1111.Bermejo, Moinelo, et al., 1980N2; Column length: 50. m; Column diameter: 0.25 mm
CapillarySqualane95.41103.Sojak and Vigdergauz, 1978H2
CapillarySqualane110.1111.Papazova and Pankova, 1975N2; Column length: 100. m; Column diameter: 0.25 mm
CapillarySqualane130.1117.Papazova and Pankova, 1975N2; Column length: 100. m; Column diameter: 0.25 mm
PackedPolydimethyl siloxane110.1113.Ferrand, 1962 

Normal alkane RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryPolydimethyl siloxane: CP-Sil 5 CB1111.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 DH1109.Supelco, 2012100. m/0.25 mm/0.50 μm, Helium, 20. C @ 15. min, 15. K/min, 220. C @ 30. min
CapillaryVF-5 MS1116.Leffingwell and Alford, 201160. m/0.32 mm/0.25 μm, Helium, 2. K/min, 260. C @ 28. min; Tstart: 30. C
CapillaryVF-5 MS1118.Leffingwell and Alford, 201160. m/0.32 mm/0.25 μm, Helium, 2. K/min, 260. C @ 28. min; Tstart: 30. C
CapillaryPONA1112.Zhang, Ding, et al., 200950. m/0.20 mm/0.50 μm, Nitrogen, 35. C @ 15. min, 2. K/min, 200. C @ 10. min
CapillaryHP-11101.Castel, Fernandez, et al., 200650. m/0.2 mm/0.33 μm, He, 60. C @ 4. min, 2. K/min, 250. C @ 30. min
CapillaryOV-11100.Orav, Kailas, et al., 19992. K/min; Tstart: 50. C; Tend: 160. C
CapillaryHP-51123.2Wang and Fingas, 199530. m/0.25 mm/0.25 μm, He, 35. C @ 2. min, 10. K/min, 300. C @ 10. min
CapillaryDB-11113.Ciccioli, Cecinato, et al., 199260. m/0.32 mm/1.2 μm, He, 30. C @ 10. min, 3. K/min; Tend: 240. C
CapillaryCP Sil 5 CB1098.Hartgers, Damste, et al., 199225. m/0.32 mm/0.45 μm, He, 0. C @ 5. min, 3. K/min, 320. C @ 10. min
CapillaryOV-1011102.Zenkevich and Ventura, 1991Helium, 50. C @ 0. min, 5. K/min, 240. C @ 0. min; Column length: 54. m; Column diameter: 0.26 mm

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

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-5 MS1130.Cajka, Hajslova, et al., 200730. m/0.25 mm/0.25 μm, Helium; Program: 45 0C (0.75 min) 10 0C/min -> 200 0C 30 0C/min -> 245 0C (1.25 min)
CapillaryMethyl Silicone1119.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)
CapillaryHP-5MS1131.Vichi, Pizzale, et al., 200530. m/0.25 mm/0.25 μm; Program: 40C(3min) => 4C/min => 75C => 8C/min => 250C
CapillaryPolymethylsiloxane, (PMS-20000)1096.Cornwell and Cordano, 2003Program: not specified
CapillaryOV-1011107.Zhu and Wang, 2001Program: not specified
CapillaryHP-51146.Timón, Ventanas, et al., 199850. m/0.32 mm/0.52 μm, He; Program: 35 0C 10 0C/min -> 200 0C (20 min) 5 0C/min -> 230 0C (50 min)
CapillarySE-301096.Xiuhua, Zhang, et al., 1996Program: not specified
CapillarySE-301108.Xiuhua, Zhang, et al., 1996Program: not specified
CapillaryDB-11104.Ciccioli, Cecinato, et al., 199460. m/0.32 mm/0.25 μm; Program: not specified
CapillaryOV-1011106.Matisová, Juranyiová, et al., 199152. m/0.25 mm/0.38 μm, H2; Program: 70 - 160 C at 1.5 deg/min; 160 - 280 C at 15 deg/min 15 min at 280 C
CapillaryOV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.1095.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified
CapillaryOV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.1103.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified
CapillaryOV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.1100.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillarySupelcowax-101411.Vichi, Pizzale, et al., 200530. m/0.25 mm/0.25 μm; Program: 40C(3min) => 4C/min => 75C => 8C/min => 250C
CapillaryCarbowax 20M1407.Cornwell and Cordano, 2003Program: not specified
CapillaryPEG-20M1416.Xiuhua, Zhang, et al., 1996Program: not specified
CapillaryCP-Wax 52CB1435.Luning, de Rijk, et al., 199450. m/0.32 mm/1.5 μm; Program: 40C => 2C/min => 150C => 10C/min => 250C
CapillaryCP-Wax 52CB1435.Luning, de Rijk, et al., 199450. m/0.32 mm/1.5 μm; Program: 40C => 2C/min => 150C => 10C/min => 250C
CapillaryDB-Wax1459.Peng, Yang, et al., 1991Program: not specified
CapillaryCarbowax 400, Carbowax 20M, Carbowax 1540, Carbowax 4000, Superox 06, PEG 20M, etc.1446.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified

References

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, 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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