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Benzene, tert-butyl-

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

Quantity Value Units Method Reference Comment
Deltafgas-22.7 ± 1.4kJ/molCcbProsen, Johnson, et al., 1946 

Condensed 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:
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
Deltafliquid-70.8 ± 1.3kJ/molCcbProsen, Johnson, et al., 1946ALS
Quantity Value Units Method Reference Comment
Deltacliquid-5865.2 ± 1.1kJ/molCcbProsen, Johnson, et al., 1946Corresponding «DELTA»fliquid = -70.71 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-5856.76kJ/molCcbRichards and Davis, 1920At 291 K; Corresponding «DELTA»fliquid = -79.15 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacliquid-5859.6kJ/molCcbRichards and Barry, 1915At 291 K; Corresponding «DELTA»fliquid = -76.3 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
liquid278.7J/mol*KN/AHuffman, Parks, et al., 1930Extrapolation below 90 K, 67.70 J/mol*K.; DH

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
238.11294.3Huffman, Parks, et al., 1930T = 92 to 294 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, Kenneth Kroenlein director
AC - William E. Acree, Jr., James S. Chickos
DRB - Donald R. Burgess, Jr.
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tboil442. ± 2.KAVGN/AAverage of 47 out of 48 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus215. ± 2.KAVGN/AAverage of 7 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple215.0KN/AHuffman, Parks, et al., 1930, 2Uncertainty assigned by TRC = 0.2 K; TRC
Quantity Value Units Method Reference Comment
Deltavap48. ± 1.kJ/molAVGN/AAverage of 6 values; Individual data points

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
45.3 ± 0.2340.EBSteele, Chirico, et al., 2002Based on data from 332. - 486. K.; AC
42.6 ± 0.2380.EBSteele, Chirico, et al., 2002Based on data from 332. - 486. K.; AC
39.9 ± 0.3420.EBSteele, Chirico, et al., 2002Based on data from 332. - 486. K.; AC
37.0 ± 0.5460.EBSteele, Chirico, et al., 2002Based on data from 332. - 486. K.; AC
47.8 ± 0.4293.GSVerevkin, 1998Based on data from 278. - 308. K.; AC
43.1383.AStephenson and Malanowski, 1987Based on data from 368. - 444. K.; AC
43.7372.N/AForziati, Norris, et al., 1949Based on data from 357. - 443. 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
357.03 - 443.314.04541504.572-69.822Forziati, Norris, et al., 1949, 2

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Method Reference Comment
8.4215.3DSC,ACChirico and Steele, 2009AC
8.41215.N/ADomalski and Hearing, 1996AC
8.397215.0N/AHuffman, Parks, et al., 1930DH

Entropy of fusion

DeltafusS (J/mol*K) Temperature (K) Reference Comment
39.06215.0Huffman, Parks, et al., 1930DH

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

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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: 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

Benzene, 1,3,5-tri-tert-butyl- + Benzene, tert-butyl- = Benzene, 1,4-bis(1,1-dimethylethyl)- + Benzene, 1,3-bis(1,1-dimethylethyl)-

By formula: C18H30 + C10H14 = C14H22 + C14H22

Quantity Value Units Method Reference Comment
Deltar1.0 ± 1.1kJ/molEqkNesterova, Verevkin, et al., 1984liquid phase; GLC

Benzene, 1,3-bis(1,1-dimethylethyl)- + Benzene = 2Benzene, tert-butyl-

By formula: C14H22 + C6H6 = 2C10H14

Quantity Value Units Method Reference Comment
Deltar-3.02 ± 0.72kJ/molEqkNesterova, Verevkin, et al., 1984liquid phase; GLC

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
0.084 LN/A
0.085 VN/A

Gas phase ion energetics 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 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

Quantity Value Units Method Reference Comment
IE (evaluated)8.68 ± 0.03eVN/AN/AL

Ionization energy determinations

IE (eV) Method Reference Comment
8.69PIDomnin, Lakshin, et al., 1985LBLHLM
8.25PEBaidin, Misharev, et al., 1985LBLHLM
8.63 ± 0.01PIVanderGreef, 1980LLK
8.69EIMcLoughlin, Morrison, et al., 1979LLK
8.725 ± 0.008EQLias and Ausloos, 1978LLK
8.64CTSPitt, 1973LLK
8.68 ± 0.01PIWatanabe, Nakayama, et al., 1962RDSH
8.68 ± 0.01PIPrice, Bralsford, et al., 1959RDSH
8.81PEBaidin, Misharev, et al., 1985Vertical value; LBLHLM
8.65PEHowell, Goncalves, et al., 1984Vertical value; LBLHLM
8.74 ± 0.05PENagy-Felsobuki and Peel, 1979Vertical value; LLK
8.83PEBischof, Dewar, et al., 1974Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C9H11+9.66CH3PIDomnin, Lakshin, et al., 1985LBLHLM
C9H11+9.73 ± 0.02CH3PIPECOBrand and Baer, 1983T = 298K; LBLHLM
C9H11+9.93 ± 0.03CH3PIPECOBrand and Baer, 1983T = 0K; LBLHLM
C9H11+10.26CH3EIHowe and Williams, 1969RDSH

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)

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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

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- 747
NIST MS number 228190

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.


UV/Visible spectrum

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, 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: Victor Talrose, Eugeny B. Stern, Antonina A. Goncharova, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina

Spectrum

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UVVis spectrum
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Additional Data

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Source Grammaticakis, 1949
Owner INEP CP RAS, NIST OSRD
Collection (C) 2007 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS
Source reference RAS UV No. 565
Instrument n.i.g.
Melting point -57.8
Boiling point 169.1

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), UV/Visible spectrum, 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

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Column type Active phase Temperature (C) I Reference Comment
PackedSqualane100.975.Hongwei and Zhide, 1992H2, Silanized white support (80-100 mesh); Column length: 3. m
CapillaryHP-160.975.Zhang, Li, et al., 1992N2; Column length: 25. m; Column diameter: 0.20 mm
CapillaryHP-160.975.Zhang, Li, et al., 1992N2; Column length: 25. m; Column diameter: 0.20 mm
CapillaryOV-1100.986.9Engewald and Maurer, 1990Column length: 60. m; Column diameter: 0.32 mm
CapillaryOV-1120.992.5Engewald and Maurer, 1990Column length: 60. m; Column diameter: 0.32 mm
CapillaryOV-190.980.9Maurer, Engewald, et al., 1990Column length: 50. m; Column diameter: 0.32 mm
CapillaryOV-101100.986.Dimov and Mekenyan, 1989Column length: 50. m; Column diameter: 0.25 mm
CapillaryOV-101100.987.Matisová, Kovacicová, et al., 1989He; Column length: 50. m; Column diameter: 0.20 mm
CapillaryOV-101145.1010.Grinberg, Tokarev, et al., 1984He; Column length: 50. m; Column diameter: 0.25 mm
CapillaryOV-101145.1008.Grinberg, Tokarev, et al., 1984He; Column length: 100. m; Column diameter: 0.25 mm
CapillaryOV-101100.986.Boneva, Papazova, et al., 1983N2; Column length: 85. m; Column diameter: 0.28 mm
CapillaryOV-101100.988.Boneva, Papazova, et al., 1983N2; Column length: 85. m; Column diameter: 0.28 mm
CapillaryOV-101100.986.Boneva, Papazova, et al., 1983N2; Column length: 85. m; Column diameter: 0.28 mm
CapillaryOV-101110.987.Boneva, Papazova, et al., 1983N2; Column length: 85. m; Column diameter: 0.28 mm
CapillaryOV-10190.982.Boneva, Papazova, et al., 1983N2; Column length: 85. m; Column diameter: 0.28 mm
CapillarySqualane106.974.Kugucheva and Mashinsky, 1983He; Column length: 100. m
CapillarySqualane96.971.Kugucheva and Mashinsky, 1983He; Column length: 100. m
CapillaryDB-160.974.9Lubeck and Sutton, 1983Column length: 60. m; Column diameter: 0.264 mm
CapillaryDB-160.975.4Lubeck and Sutton, 198360. m/0.259 mm/1. «mu»m
CapillarySE-3070.980.0Tóth, 1983N2; Column length: 15. m; Column diameter: 0.25 mm
PackedSE-30150.1008.Winskowski, 1983Gaschrom Q; Column length: 2. m
CapillaryOV-101100.988.Gerasimenko and Nabivach, 1982N2; Column length: 50. m; Column diameter: 0.30 mm
CapillaryOV-101120.994.Gerasimenko and Nabivach, 1982N2; Column length: 50. m; Column diameter: 0.30 mm
CapillaryOV-101140.1001.Gerasimenko and Nabivach, 1982N2; Column length: 50. m; Column diameter: 0.30 mm
CapillarySqualane86.969.9Macák, Nabivach, et al., 1982N2; Column length: 50. m; Column diameter: 0.25 mm
CapillarySqualane96.972.5Macák, Nabivach, et al., 1982N2; Column length: 50. m; Column diameter: 0.25 mm
CapillaryOV-101100.987.6Gerasimenko, Kirilenko, et al., 1981N2; Column length: 50. m; Column diameter: 0.3 mm
CapillaryOV-101120.993.5Gerasimenko, Kirilenko, et al., 1981N2; Column length: 50. m; Column diameter: 0.3 mm
CapillaryOV-101140.1000.9Gerasimenko, Kirilenko, et al., 1981N2; Column length: 50. m; Column diameter: 0.3 mm
PackedSqualane100.975.Nabivach and Kirilenko, 1980He, Chromaton N-AW-HMDS; Column length: 1. m
CapillarySqualane86.969.9Nabivach and Kirilenko, 1979N2; Column length: 50. m
CapillarySqualane86.969.9Nabivach, Bur'yan, et al., 1978Column length: 50. m; Column diameter: 0.25 mm
CapillarySqualane96.972.5Nabivach, Bur'yan, et al., 1978Column length: 50. m; Column diameter: 0.25 mm
CapillarySqualane100.972.Engewald and Wennrich, 1976N2; Column length: 100. m; Column diameter: 0.23 mm
CapillarySqualane80.967.08Soják and Rijks, 1976H2; Column length: 100. m; Column diameter: 0.25 mm
CapillarySE-3065.975.4Svob and Deur-Siftar, 1974He; Column length: 25.5 m; Column diameter: 0.5 mm
CapillarySqualane100.973.3Svob and Deur-Siftar, 1974He; Column length: 10.5 m; Column diameter: 0.25 mm

Kovats' RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryOV-101976.Hayes and Pitzer, 1982110. m/0.25 mm/0.20 «mu»m, He, 1. K/min; Tstart: 35. C; Tend: 200. C
CapillaryApiezon L992.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-100983.22Haagen-Smit Laboratory, 1997He; Column length: 100. m; Column diameter: 0.2 mm; Program: 5C(10min) => 5C/min => 50C(48min) => 1.5C/min => 195C(91min)

Kovats' RI, polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillaryPEG-20M70.1237.5Tóth, 1983N2; Column length: 30. m; Column diameter: 0.3 mm
CapillaryCarbowax 20M100.1229.5Engewald and Wennrich, 1976N2; Column length: 100. m; Column diameter: 0.23 mm
CapillaryCarbowax 20M90.1215.1Döring, Estel, et al., 1974Column length: 100. m; Column diameter: 0.2 mm

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

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Column type Active phase I Reference Comment
CapillaryPONA981.Vendeuvre, Bertoncini, et al., 200550. m/0.2 mm/0.5 «mu»m, 2. K/min; Tstart: 50. C
CapillaryPONA988.Vendeuvre, Bertoncini, et al., 200550. m/0.2 mm/0.5 «mu»m, 5. K/min; Tstart: 50. C
CapillaryDB-5987.1Song, Lai, et al., 200330. m/0.25 mm/0.25 «mu»m, He, 2. K/min; Tstart: 40. C; Tend: 310. C
CapillaryDB-5990.5Song, Lai, et al., 200330. m/0.25 mm/0.25 «mu»m, He, 4. K/min; Tstart: 40. C; Tend: 310. C
CapillaryDB-5992.0Song, Lai, et al., 200330. m/0.25 mm/0.25 «mu»m, He, 6. K/min; Tstart: 40. C; Tend: 310. C
CapillaryDB-1972.4Sun and Stremple, 200330. m/0.25 mm/0.25 «mu»m, He, 3. K/min; Tstart: 40. C; Tend: 325. C
CapillaryOV-101979.3Yin, Liu, et al., 2001N2, 1. K/min; Column length: 80. m; Column diameter: 0.22 mm; Tstart: 30. C; Tend: 130. C
CapillaryOV-1979.1Gautzsch and Zinn, 19968. K/min; Tstart: 35. C; Tend: 300. C
CapillaryDB-5987.1Lai and Song, 199530. m/0.25 mm/0.25 «mu»m, He, 2. K/min; Tstart: 40. C; Tend: 310. C
CapillaryDB-5990.5Lai and Song, 199530. m/0.25 mm/0.25 «mu»m, He, 4. K/min; Tstart: 40. C; Tend: 310. C
CapillaryDB-5992.Lai and Song, 199530. m/0.25 mm/0.25 «mu»m, He, 6. K/min; Tstart: 40. C; Tend: 310. C
CapillaryPetrocol DH978.White, Hackett, et al., 1992100. m/0.25 mm/0.5 «mu»m, He, 1. K/min; Tstart: 30. C; Tend: 220. C
CapillaryDB-5988.Morinaga, Hara, et al., 199015. m/0.53 mm/1.5 «mu»m, He, 4. K/min; Tstart: 40. C; Tend: 90. C
CapillaryUltra-1972.82Haynes and Pitzer, 198550. m/0.22 mm/0.33 «mu»m, He, 1. K/min; Tstart: -30. C; Tend: 240. C
CapillaryUltra-1976.53Haynes and Pitzer, 198550. m/0.22 mm/0.33 «mu»m, He, 2. K/min; Tstart: -30. C; Tend: 240. C
CapillaryUltra-1978.96Haynes and Pitzer, 198550. m/0.22 mm/0.33 «mu»m, He, 3. K/min; Tstart: -30. C; Tend: 240. C
CapillaryUltra-2989.31Haynes and Pitzer, 198550. m/0.22 mm/0.33 «mu»m, He, 1. K/min; Tstart: -30. C; Tend: 240. C
CapillaryUltra-2993.20Haynes and Pitzer, 198550. m/0.22 mm/0.33 «mu»m, He, 2. K/min; Tstart: -30. C; Tend: 240. C
CapillaryUltra-2995.68Haynes and Pitzer, 198550. m/0.22 mm/0.33 «mu»m, He, 3. K/min; Tstart: -30. C; Tend: 240. C
CapillaryOV-101976.Hayes and Pitzer, 1981108. m/0.25 mm/0.2 «mu»m, 1. K/min; Tstart: 35. C; Tend: 200. C

Normal alkane RI, non-polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillaryMethyl Silicone120.1001.Chen and Feng, 2006 
CapillaryMethyl Silicone120.988.Chen and Feng, 2006 
CapillarySqualane95.4963.Sojak and Vigdergauz, 1978H2
CapillarySqualane110.976.Papazova and Pankova, 1975N2; Column length: 100. m; Column diameter: 0.25 mm
PackedPolydimethyl siloxane110.994.Ferrand, 1962 

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryPolydimethyl siloxane: CP-Sil 5 CB977.Bramston-Cook, 201360. m/0.25 mm/1.0 «mu»m, Helium, 45. C @ 1.45 min, 3.6 K/min, 210. C @ 2.72 min
CapillaryPetrocol DH984.Supelco, 2012100. m/0.25 mm/0.50 «mu»m, Helium, 20. C @ 15. min, 15. K/min, 220. C @ 30. min
CapillaryDB-1984.Zenkevich, Ukolov, et al., 201130. m/0.32 mm/0.25 «mu»m, Nitrogen, 5. K/min; Tstart: 100. C; Tend: 200. C
CapillaryOV-1984.Orav, Kailas, et al., 19992. K/min; Tstart: 50. C; Tend: 160. C
CapillaryOV-101975.Orav, Kailas, et al., 1999, 250. m/0.20 mm/0.50 «mu»m, Helium, 30. C @ 6. min, 1. K/min; Tend: 100. C
CapillaryDB-1994.Ciccioli, Cecinato, et al., 199260. m/0.32 mm/1.2 «mu»m, He, 30. C @ 10. min, 3. K/min; Tend: 240. C
CapillaryOV-1971.Guan, Zheng, et al., 199250. m/0.32 mm/0.52 «mu»m, H2, 1. K/min; Tstart: 30. C
CapillaryOV-1975.Guan, Zheng, et al., 199250. m/0.32 mm/0.52 «mu»m, H2, 2. K/min; Tstart: 35. C
CapillaryCP Sil 5 CB975.Hartgers, Damste, et al., 199225. m/0.32 mm/0.45 «mu»m, He, 0. C @ 5. min, 3. K/min, 320. C @ 10. min
CapillaryOV-101980.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-30961.Heydanek and McGorrin, 1981He, 40. C @ 3. min, 3. K/min; Column length: 50. m; Column diameter: 0.5 mm; Tend: 170. C

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

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Column type Active phase I Reference Comment
CapillarySE-30988.Vinogradov, 2004Program: not specified
CapillaryDB-1973.Ciccioli, Cecinato, et al., 199460. m/0.32 mm/0.25 «mu»m; Program: not specified
CapillaryOV-101986.Dimov, Osman, et al., 1994Program: not specified
CapillaryDB-1991.Hathcock and Bertsch, 1993100. m/0.25 mm/0.5 «mu»m; Program: not specified
CapillaryOV-1986.4Engewald and Maurer, 1990Column length: 60. m; Column diameter: 0.32 mm; Program: 1) 1st 30m column temp ramp 4C/min 60-120C 2)2nd 30m column isothermal 100C
CapillaryOV-1993.8Engewald and Maurer, 1990Column length: 60. m; Column diameter: 0.32 mm; Program: 1) 1st 30m column temp ramp 4C/min 60-120C. 2) 2nd 30m column isothermal 120C.
CapillaryOV-1991.7Engewald and Maurer, 1990Column length: 60. m; Column diameter: 0.32 mm; Program: 1) 1st 30m column temp ramp 6C/min 60-120C. 2) 2nd 30m column isothermal 120C.
CapillaryOV-1991.9Engewald and Maurer, 1990Column length: 60. m; Column diameter: 0.32 mm; Program: 1)1st 30m column temp ramp 3C/min 60-120 2)2nd 30m column isothermal 120C
CapillarySqualane973.3Dimov and Mekenyan, 1989Program: not specified
CapillaryOV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.1008.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified
CapillaryMethyl Silicone985.Bonchev, Mekenjan, et al., 1979Program: not specified
PackedSE-301000.Robinson and Odell, 1971N2, Chromosorb W; Column length: 6.1 m; Program: 50C910min) => 20C/min => 90(6min) => 10C/min => 150C(hold)
PackedSqualane971.Robinson and Odell, 1971N2, Embacel; Column length: 3.0 m; Program: 25C(5min) => 2C/min => 35 => 4C/min => 95C(hold)

Normal alkane RI, polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
CapillaryPEG-40M100.1249.Nesterov, Nesterova, et al., 2000Column length: 50. m
CapillaryPEG-40M100.1251.Nesterov, Nesterova, et al., 2000Column length: 50. m
CapillaryPEG-40M120.1262.Nesterov, Nesterova, et al., 2000Column length: 50. m
CapillaryPEG-40M140.1275.Nesterov, Nesterova, et al., 2000Column length: 50. m
CapillaryPEG-40M160.1287.Nesterov, Nesterova, et al., 2000Column length: 50. m
CapillaryPEG-40M60.1229.Nesterov, Nesterova, et al., 2000Column length: 50. m
CapillaryPEG-40M80.1239.Nesterov, Nesterova, et al., 2000Column length: 50. m
CapillaryCarbowax 20M90.1215.Sutter, Peterson, et al., 1997 

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryCarbowax 20M1247.Vinogradov, 2004Program: not specified
CapillaryCarbowax 20M1215.Ivanciuc, Ivanciuc, et al., 2001Program: not specified
CapillaryCarbowax 20M1223.Dimov and Mekenyan, 1989Program: not specified

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), UV/Visible spectrum, 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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Sutter, J.M.; Peterson, T.A.; Jurs, P.C., Prediction of gas chromatographic retention indices of alkylbenzenes, Anal. Chim. Acta., 1997, 342, 2-3, 113-122, https://doi.org/10.1016/S0003-2670(96)00578-8 . [all data]

Ivanciuc, Ivanciuc, et al., 2001
Ivanciuc, O.; Ivanciuc, T.; Klein, D.J.; Seitz, W.A.; Balaban, A.T., Quantitative structure-retention relationships for gas chromatographic retention indices of alkylbenzenes with molecular graph descriptors, SAR QSAR Environ. Res., 2001, 11, 5-6, 419-452, https://doi.org/10.1080/10629360108035362 . [all data]


Notes

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