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Benzene, 1,2,3-trimethyl-

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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), UV/Visible 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 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
Deltafgas-9.6 ± 1.3kJ/molCcbJohnson, Prosen, et al., 1945Hf by Prosen, Johnson, et al., 1946; ALS
Quantity Value Units Method Reference Comment
gas384.84 ± 0.63J/mol*KN/ATaylor R.D., 1955GT

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
117.9200.Draeger, 1985Discrepancies with other statistically calculated values [ Taylor W.J., 1946, Hastings S.H., 1957, Thermodynamics Research Center, 1997] amount up to 5 J/mol*K in S(T) and Cp(T).; GT
148.3273.15
159.1 ± 0.4298.15
159.9300.
202.6400.
241.5500.
274.7600.
302.8700.
326.7800.
347.0900.
364.31000.
379.21100.
392.01200.
402.91300.
412.41400.
420.61500.

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-58.6 ± 1.3kJ/molCcbJohnson, Prosen, et al., 1945Hf by Prosen, Johnson, et al., 1946; ALS
Quantity Value Units Method Reference Comment
Deltacliquid-5198.0 ± 1.2kJ/molCcbJohnson, Prosen, et al., 1945Hf by Prosen, Johnson, et al., 1946; Corresponding «DELTA»fliquid = -58.53 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
liquid267.94J/mol*KN/ATaylor, Johnson, et al., 1955DH

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
216.44298.15Taylor, Johnson, et al., 1955T = 19 to 301 K.; DH

Phase change data

Go To: Top, Gas phase thermochemistry data, Condensed phase 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, References, Notes

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

Data compiled as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Kenneth Kroenlein 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.
CAL - James S. Chickos, William E. Acree, Jr., Joel F. Liebman, Students of Chem 202 (Introduction to the Literature of Chemistry), University of Missouri -- St. Louis
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tboil449.2 ± 0.2KAVGN/AAverage of 25 out of 30 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus247.6 ± 0.3KAVGN/AAverage of 14 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple247.81KN/ATaylor, Johnson, et al., 1955, 2Crystal phase 1 phase; Uncertainty assigned by TRC = 0.05 K; TRC
Ttriple247.800KN/AKilpatrick, 1953Uncertainty assigned by TRC = 0.05 K; TRC
Quantity Value Units Method Reference Comment
Tc664.5 ± 0.5KN/ATsonopoulos and Ambrose, 1995 
Tc665.50KN/AKay and Pak, 1980Uncertainty assigned by TRC = 1.5 K; TRC
Tc664.39KN/AAmbrose, Broderick, et al., 1967Uncertainty assigned by TRC = 0.1 K; TRC
Tc664.5KN/AAmbrose, Cox, et al., 1960Uncertainty assigned by TRC = 0.3 K; Visual, PRT, IPTS-48; TRC
Quantity Value Units Method Reference Comment
Pc34.5 ± 0.4barN/ATsonopoulos and Ambrose, 1995 
Pc34.426barN/AKay and Pak, 1980Uncertainty assigned by TRC = 0.50 bar; TRC
Pc34.54barN/AAmbrose, Broderick, et al., 1967Uncertainty assigned by TRC = 0.06 bar; TRC
Quantity Value Units Method Reference Comment
Deltavap49.0 ± 0.2kJ/molAVGN/AAverage of 7 values; Individual data points

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
44.8378.AStephenson and Malanowski, 1987Based on data from 363. - 456. K. See also Forziati, Norris, et al., 1949.; AC
42.5265.RGHopke and Sears, 1948Based on data from 259. - 270. 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
363.48 - 450.284.165721593.958-66.072Forziati, Norris, et al., 1949, 2

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Reference Comment
8.18247.8Domalski and Hearing, 1996AC

Entropy of fusion

DeltafusS (J/mol*K) Temperature (K) Reference Comment
3.218.7Domalski and Hearing, 1996CAL
5.8230.3
33.01247.8

Enthalpy of phase transition

DeltaHtrs (kJ/mol) Temperature (K) Initial Phase Final Phase Reference Comment
0.6586218.70crystaline, IIIcrystaline, IITaylor, Johnson, et al., 1955DH
1.3360230.27crystaline, IIcrystaline, ITaylor, Johnson, et al., 1955DH
8.1801247.81crystaline, IliquidTaylor, Johnson, et al., 1955DH

Entropy of phase transition

DeltaStrs (J/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
3.01218.70crystaline, IIIcrystaline, IITaylor, Johnson, et al., 1955DH
5.80230.27crystaline, IIcrystaline, ITaylor, Johnson, et al., 1955DH
33.01247.81crystaline, IliquidTaylor, Johnson, et al., 1955DH

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
0.27 QN/A missing citation give several references for the Henry's law constants but don't assign them to specific species.
0.31 LN/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

View reactions leading to C9H12+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)8.42 ± 0.02eVN/AN/AL

Ionization energy determinations

IE (eV) Method Reference Comment
8.42 ± 0.02EQLias and Ausloos, 1978LLK
8.48 ± 0.01PIPrice, Bralsford, et al., 1959RDSH
8.42PEHowell, Goncalves, et al., 1984Vertical value; LBLHLM
8.6 ± 0.03PEKlessinger, 1972Vertical value; LLK

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, Henry's Law data, Gas phase ion energetics data, IR Spectrum, UV/Visible 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 NIST Mass Spectrometry Data Center, 1992
NIST MS number 125395

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, 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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1.) Enter the desired X axis range (e.g., 100, 200)
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Additional Data

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Source missing citation
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. 8970
Instrument Zeiss PMQ II or M4Q III
Melting point -25.4
Boiling point 176.1

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), 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

View large format table.

Column type Active phase Temperature (C) I Reference Comment
CapillaryHP-5100.1035.4Pérez-Parajón, Santiuste, et al., 200460. m/0.25 mm/0.25 «mu»m
CapillaryHP-5120.1043.5Pérez-Parajón, Santiuste, et al., 200460. m/0.25 mm/0.25 «mu»m
CapillaryHP-10160.1001.05Garay, 200050. m/0.2 mm/0.2 «mu»m, H2
CapillaryOV-1100.1015.8Zhu, Zhang, et al., 1999Column length: 50. m; Column diameter: 0.25 mm
CapillaryCP Sil 280.1022.4Estel, Mohnke, et al., 1995100. m/0.25 mm/0.25 «mu»m
PackedSqualane100.1013.Hongwei and Zhide, 1992H2, Silanized white support (80-100 mesh); Column length: 3. m
CapillaryHP-160.1001.Zhang, Li, et al., 1992N2; Column length: 25. m; Column diameter: 0.20 mm
CapillaryHP-160.1002.Zhang, Li, et al., 1992N2; Column length: 25. m; Column diameter: 0.20 mm
CapillaryHP-1100.1014.Zhang, Li, et al., 1992N2; Column length: 25. m; Column diameter: 0.20 mm
CapillaryHP-1100.1014.Zhang, Li, et al., 1992N2; Column length: 25. m; Column diameter: 0.20 mm
CapillaryOV-1100.1014.9Engewald and Maurer, 1990Column length: 60. m; Column diameter: 0.32 mm
CapillaryOV-1120.1021.9Engewald and Maurer, 1990Column length: 60. m; Column diameter: 0.32 mm
CapillaryOV-101100.1016.Dimov and Mekenyan, 1989Column length: 50. m; Column diameter: 0.25 mm
CapillaryOV-101100.1016.Matisová, Kovacicová, et al., 1989He; Column length: 50. m; Column diameter: 0.20 mm
CapillaryOV-101100.1016.Matisová, Rukríglová, et al., 1988H2; Column length: 278. m; Column diameter: 0.25 mm
CapillaryOV-101100.1016.Matisová, Rukríglová, et al., 1988H2; Column length: 278. m; Column diameter: 0.25 mm
CapillarySqualane100.1012.Nabivach and Vasiliev, 1987 
CapillaryOV-101100.1013.Boneva, Papazova, et al., 1983N2; Column length: 85. m; Column diameter: 0.28 mm
CapillaryOV-101100.1016.Boneva, Papazova, et al., 1983N2; Column length: 85. m; Column diameter: 0.28 mm
CapillaryOV-101100.1013.Boneva, Papazova, et al., 1983N2; Column length: 85. m; Column diameter: 0.28 mm
CapillaryOV-101110.1017.Boneva, Papazova, et al., 1983N2; Column length: 85. m; Column diameter: 0.28 mm
CapillaryOV-10190.1010.Boneva, Papazova, et al., 1983N2; Column length: 85. m; Column diameter: 0.28 mm
CapillarySqualane106.1012.Kugucheva and Mashinsky, 1983He; Column length: 100. m
CapillarySqualane96.1009.Kugucheva and Mashinsky, 1983He; Column length: 100. m
CapillaryDB-160.999.9Lubeck and Sutton, 1983Column length: 60. m; Column diameter: 0.264 mm
CapillaryDB-160.1000.Lubeck and Sutton, 198360. m/0.259 mm/1. «mu»m
CapillarySE-3070.1006.0Tóth, 1983N2; Column length: 15. m; Column diameter: 0.25 mm
CapillarySE-30130.1029.Bredael, 1982Column length: 100. m; Column diameter: 0.5 mm
CapillarySE-3080.1009.Bredael, 1982Column length: 100. m; Column diameter: 0.5 mm
CapillaryOV-101100.1016.Gerasimenko and Nabivach, 1982N2; Column length: 50. m; Column diameter: 0.30 mm
CapillaryOV-101120.1023.Gerasimenko and Nabivach, 1982N2; Column length: 50. m; Column diameter: 0.30 mm
CapillaryOV-101140.1031.Gerasimenko and Nabivach, 1982N2; Column length: 50. m; Column diameter: 0.30 mm
CapillarySqualane86.1007.8Macák, Nabivach, et al., 1982N2; Column length: 50. m; Column diameter: 0.25 mm
CapillarySqualane96.1010.5Macák, Nabivach, et al., 1982N2; Column length: 50. m; Column diameter: 0.25 mm
CapillaryOV-101100.1015.9Gerasimenko, Kirilenko, et al., 1981N2; Column length: 50. m; Column diameter: 0.3 mm
CapillaryOV-101120.1022.8Gerasimenko, Kirilenko, et al., 1981N2; Column length: 50. m; Column diameter: 0.3 mm
CapillaryOV-101140.1031.2Gerasimenko, Kirilenko, et al., 1981N2; Column length: 50. m; Column diameter: 0.3 mm
PackedSqualane100.1017.Nabivach and Kirilenko, 1980He, Chromaton N-AW-HMDS; Column length: 1. m
CapillarySqualane86.1007.8Nabivach and Kirilenko, 1979N2; Column length: 50. m
CapillarySqualane86.1007.9Nabivach and Kirilenko, 1979N2; Column length: 50. m
CapillarySqualane86.1007.8Nabivach, Bur'yan, et al., 1978Column length: 50. m; Column diameter: 0.25 mm
CapillarySqualane96.1010.5Nabivach, Bur'yan, et al., 1978Column length: 50. m; Column diameter: 0.25 mm
CapillarySqualane100.1013.Engewald and Wennrich, 1976N2; Column length: 100. m; Column diameter: 0.23 mm
CapillarySqualane80.1004.31Soják and Rijks, 1976H2; Column length: 100. m; Column diameter: 0.25 mm
PackedSE-30110.1033.Mitra, Mohan, et al., 1974N2, Chrom W; Column length: 6.1 m
CapillarySqualane100.1010.Mitra, Mohan, et al., 1974, 2H2; Column length: 50. m; Column diameter: 0.2 mm
CapillarySE-3065.1005.2Svob and Deur-Siftar, 1974He; Column length: 25.5 m; Column diameter: 0.5 mm
CapillarySqualane100.1011.9Svob and Deur-Siftar, 1974He; Column length: 10.5 m; Column diameter: 0.25 mm
CapillarySqualane120.1018.Agrawal, Tesarík, et al., 1972N2, Celite 545; Column length: 50. m; Column diameter: 0.3 mm
CapillarySqualane86.1007.Agrawal, Tesarík, et al., 1972N2, Celite 545; Column length: 50. m; Column diameter: 0.3 mm
CapillarySqualane86.1007.5Soják and Bucinská, 1970N2; Column length: 200. m; Column diameter: 0.2 mm

Kovats' RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-51034.Buchin, Salmon, et al., 200260. m/0.32 mm/1. «mu»m, He, 40. C @ 5. min, 3. K/min, 230. C @ 2. min
CapillaryDB-51020.6Wang, Fingas, et al., 199430. m/0.32 mm/0.25 «mu»m, He, 50. C @ 2. min, 6. K/min; Tend: 300. C
CapillarySE-541012.Rembold, Wallner, et al., 198930. m/0.25 mm/0.25 «mu»m, He, 0. C @ 12. min, 12. K/min; Tend: 250. C
CapillaryOV-1011004.Hayes and Pitzer, 1982110. m/0.25 mm/0.20 «mu»m, He, 1. K/min; Tstart: 35. C; Tend: 200. C
CapillaryApiezon L1048.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-1001006.85Haagen-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-11010.Hoekman, 199360. m/0.32 mm/1.0 «mu»m, 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
CapillarySqualane1016.Papazova and Pankova, 1975N2; Column length: 100. m; Column diameter: 0.25 mm; Program: not specified

Kovats' RI, polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
CapillaryZB-Wax100.1366.3Pérez-Parajón, Santiuste, et al., 200460. m/0.25 mm/0.25 «mu»m
CapillaryZB-Wax120.1382.9Pérez-Parajón, Santiuste, et al., 200460. m/0.25 mm/0.25 «mu»m
CapillaryCarbowax 20M150.1295.Egazaryants and Maximov, 1998He; Column length: 15. m; Column diameter: 0.5 mm
CapillaryPEG-20M70.1325.4Tóth, 1983N2; Column length: 30. m; Column diameter: 0.3 mm
CapillaryCarbowax 20M100.1320.6Engewald and Wennrich, 1976N2; Column length: 100. m; Column diameter: 0.23 mm
CapillaryCarbowax 20M90.1301.8Döring, Estel, et al., 1974Column length: 100. m; Column diameter: 0.2 mm

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

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-Petro1005.7Pang T., Zhu S., et al., 200750. m/0.2 mm/0.5 «mu»m, 2. K/min; Tstart: 50. C; Tend: 270. C
CapillaryDB-Petro1005.7Pang T., Zhu S., et al., 200750. m/0.2 mm/0.5 «mu»m, 2. K/min; Tstart: 50. C; Tend: 270. C
CapillaryHP-5999.Solina, Baumgartner, et al., 200525. m/0.2 mm/1. «mu»m, He, 5. K/min, 280. C @ 5. min; Tstart: 40. C
CapillaryCP-Sil 8CB-MS1012.Hierro, de la Hoz, et al., 200460. m/0.25 mm/0.25 «mu»m, 40. C @ 2. min, 4. K/min, 280. C @ 5. min
CapillaryPetrocol DH1012.4Censullo, Jones, et al., 200350. m/0.25 mm/0.5 «mu»m, He, 35. C @ 10. min, 3. K/min, 200. C @ 10. min
CapillaryDB-51016.0Song, Lai, et al., 200330. m/0.25 mm/0.25 «mu»m, He, 2. K/min; Tstart: 40. C; Tend: 310. C
CapillaryDB-51019.9Song, Lai, et al., 200330. m/0.25 mm/0.25 «mu»m, He, 4. K/min; Tstart: 40. C; Tend: 310. C
CapillaryDB-51022.7Song, Lai, et al., 200330. m/0.25 mm/0.25 «mu»m, He, 6. K/min; Tstart: 40. C; Tend: 310. C
CapillaryDB-51032.8Xu, van Stee, et al., 200330. m/0.25 mm/1. «mu»m, He, 2.5 K/min; Tstart: 50. C; Tend: 200. C
CapillaryHP-51018.Isidorov, Krajewska, et al., 200130. m/0.25 mm/0.25 «mu»m, He, 3. K/min; Tstart: 40. C; Tend: 180. C
CapillaryOV-1011008.2Yin, Liu, et al., 2001N2, 1. K/min; Column length: 80. m; Column diameter: 0.22 mm; Tstart: 30. C; Tend: 130. C
CapillaryCP Sil 8 CB1007.Yassaa, Meklati, et al., 199925. m/0.2 mm/0.25 «mu»m, 40. C @ 8. min, 2. K/min; Tend: 200. C
CapillarySE-541027.0Kivi-Etelätalo, Kostiainen, et al., 199750. m/0.32 mm/1. «mu»m, He, 40. C @ 2. min, 10. K/min, 220. C @ 5. min
CapillaryOV-1979.7Gautzsch and Zinn, 19968. K/min; Tstart: 35. C; Tend: 300. C
CapillaryDB-51016.Lai and Song, 199530. m/0.25 mm/0.25 «mu»m, He, 2. K/min; Tstart: 40. C; Tend: 310. C
CapillaryDB-51019.9Lai and Song, 199530. m/0.25 mm/0.25 «mu»m, He, 4. K/min; Tstart: 40. C; Tend: 310. C
CapillaryDB-51022.7Lai and Song, 199530. m/0.25 mm/0.25 «mu»m, He, 6. K/min; Tstart: 40. C; Tend: 310. C
CapillaryDB-5996.Gómez, Ledbetter, et al., 1993He, 4. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tstart: 50. C; Tend: 250. C
CapillaryPetrocol DH1004.87White, Douglas, et al., 1992100. m/0.25 mm/0.5 «mu»m, He, 1. K/min; Tstart: 30. C; Tend: 220. C
CapillaryPetrocol DH1005.04White, Douglas, et al., 1992100. m/0.25 mm/0.5 «mu»m, He, 1. K/min; Tstart: 30. C; Tend: 220. C
CapillaryPetrocol DH1005.White, Hackett, et al., 1992100. m/0.25 mm/0.5 «mu»m, He, 1. K/min; Tstart: 30. C; Tend: 220. C
CapillaryDB-51017.Morinaga, Hara, et al., 199015. m/0.53 mm/1.5 «mu»m, He, 4. K/min; Tstart: 40. C; Tend: 90. C
CapillaryUltra-11004.77Steward and Pitzer, 198850. m/0.2 mm/0.33 «mu»m, He, 2. K/min; Tstart: 0. C; Tend: 240. C
CapillarySE-301008.9Krupcík, Repka, et al., 198760. m/0.25 mm/1. «mu»m, H2, 1. K/min; Tstart: 60. C
CapillaryUltra-1997.82Haynes and Pitzer, 198550. m/0.22 mm/0.33 «mu»m, He, 1. K/min; Tstart: -30. C; Tend: 240. C
CapillaryUltra-11002.62Haynes and Pitzer, 198550. m/0.22 mm/0.33 «mu»m, He, 2. K/min; Tstart: -30. C; Tend: 240. C
CapillaryUltra-11005.67Haynes and Pitzer, 198550. m/0.22 mm/0.33 «mu»m, He, 3. K/min; Tstart: -30. C; Tend: 240. C
CapillaryUltra-21017.96Haynes and Pitzer, 198550. m/0.22 mm/0.33 «mu»m, He, 1. K/min; Tstart: -30. C; Tend: 240. C
CapillaryUltra-21023.11Haynes and Pitzer, 198550. m/0.22 mm/0.33 «mu»m, He, 2. K/min; Tstart: -30. C; Tend: 240. C
CapillaryUltra-21026.55Haynes and Pitzer, 198550. m/0.22 mm/0.33 «mu»m, He, 3. K/min; Tstart: -30. C; Tend: 240. C
CapillaryOV-1011004.Hayes and Pitzer, 1981108. m/0.25 mm/0.2 «mu»m, 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
CapillaryMethyl Silicone1027.65Hassoun, Pilling, et al., 199950. m/0.25 mm/1. «mu»m, He; Program: -50C(2min) => 49.9C/min => 35C(10min) => 3C/min => 200C(2min) => 40C/min => 240C(30min)
CapillaryDB-11009.Mattinen, Tuominen, et al., 199530. m/0.32 mm/1. «mu»m, He; Program: 40C(3min) => 5C/min => 150C => 10C/min => 210C(30min)

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

View large format table.

Column type Active phase I Reference Comment
CapillarySupelcowax-101348.Elmore, Nisyrios, et al., 200560. m/0.25 mm/0.25 «mu»m, He, 40. C @ 2. min, 4. K/min; Tend: 280. C
CapillaryCarbowax1369.6Censullo, Jones, et al., 200360. m/0.25 mm/0.5 «mu»m, He, 50. C @ 10. min, 5. K/min, 250. C @ 10. min
CapillarySupelcowax-101340.Chung, Yung, et al., 200260. m/0.25 mm/0.25 «mu»m, He, 35. C @ 5. min, 2. K/min, 195. C @ 90. min
CapillarySupelcowax-101340.Chung, Yung, et al., 200160. m/0.25 mm/0.25 «mu»m, He, 35. C @ 5. min, 2. K/min, 195. C @ 90. min
CapillaryDB-Wax1329.Shimoda, Yoshimura, et al., 200160. m/0.25 mm/0.25 «mu»m, He, 2. K/min, 230. C @ 60. min; Tstart: 50. C
CapillaryDB-Wax1349.Le Guen, Prost, et al., 200060. m/0.32 mm/0.5 «mu»m, He, 40. C @ 2. min, 4. K/min, 250. C @ 10. min
CapillaryCP-Wax 52CB1324.Chevance and Farmer, 199960. C @ 5. min, 4. K/min, 220. C @ 30. min; Column length: 50. m; Column diameter: 0.32 mm
CapillaryCP-Wax 52CB1324.Chevance and Farmer, 1999, 260. C @ 5. min, 4. K/min, 220. C @ 30. min; Column length: 50. m; Column diameter: 0.32 mm
CapillarySupelcowax-101341.Chung, 199960. m/0.25 mm/0.25 «mu»m, He, 35. C @ 5. min, 2. K/min, 195. C @ 90. min
CapillaryDB-Wax1331.Shiratsuchi, Shimoda, et al., 199460. m/0.25 mm/0.25 «mu»m, He, 2. K/min, 230. C @ 60. min; Tstart: 50. C
CapillaryDB-Wax1337.Sumitani, Suekane, et al., 1994He, 40. C @ 5. min, 3. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 200. C
CapillarySupelcowax-101339.Chung and Cadwallader, 199360. m/0.25 mm/0.25 «mu»m, He, 40. C @ 5. min, 2. K/min, 195. C @ 40. min
CapillarySupelcowax-101343.Tanchotikul and Hsieh, 198960. m/0.25 mm/0.25 «mu»m, 40. C @ 5. min, 2. K/min, 175. C @ 20. min
CapillarySupelcowax-101343.Tanchotikul and Hsieh, 198960. m/0.25 mm/0.25 «mu»m, 40. C @ 5. min, 2. K/min, 175. C @ 20. min
CapillarySupelcowax-101342.Vejaphan, Hsieh, et al., 198860. m/0.25 mm/0.25 «mu»m, 40. C @ 5. min, 2. K/min, 175. C @ 20. min
CapillarySupelcowax-101342.Vejaphan, Hsieh, et al., 198860. m/0.25 mm/0.25 «mu»m, 40. C @ 5. min, 2. K/min, 175. C @ 20. min

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

View large format table.

Column type Active phase I Reference Comment
CapillarySupelcowax-101340.Bianchi, Careri, et al., 200730. m/0.25 mm/0.25 «mu»m, He; Program: 35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C(1min)
CapillaryCP-Wax 52CB1340.Alasalvar, Shahidi, et al., 200360. m/0.25 mm/0.25 «mu»m, He; Program: 40C => 5C/min => 60C => 2.5C/min => 155C

Normal alkane RI, non-polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
CapillarySqualane100.1010.Berezkin, 1993 
CapillarySqualane100.1011.Berezkin, 1993 
CapillaryOV-101100.1016.Tian, 1993Column length: 50. m; Column diameter: 0.20 mm
CapillaryOV-101100.1016.Tian, 1993Column length: 50. m; Column diameter: 0.20 mm
CapillaryOV-101120.1023.Tian, 1993Column length: 50. m; Column diameter: 0.20 mm
CapillaryOV-101120.1023.Tian, 1993Column length: 50. m; Column diameter: 0.20 mm
CapillaryOV-10170.1010.Wu and Lu, 1984 
CapillaryE-301100.1020.Bermejo, Moinelo, et al., 1980N2; Column length: 50. m; Column diameter: 0.25 mm
CapillarySqualane100.1016.Bermejo, Moinelo, et al., 1980N2; Column length: 50. m; Column diameter: 0.25 mm
CapillarySqualane95.41007.Sojak and Vigdergauz, 1978H2
CapillarySqualane110.1016.Papazova and Pankova, 1975N2; Column length: 100. m; Column diameter: 0.25 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 CB1015.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
CapillaryHP-5 MS1017.Kotowska, Zalikowski, et al., 201230. m/0.25 mm/0.25 «mu»m, Helium, 35. C @ 5. min, 3. K/min, 300. C @ 15. min
CapillaryPetrocol DH1009.Supelco, 2012100. m/0.25 mm/0.50 «mu»m, Helium, 20. C @ 15. min, 15. K/min, 220. C @ 30. min
CapillaryVF-5 MS1020.Leffingwell and Alford, 201160. m/0.32 mm/0.25 «mu»m, Helium, 2. K/min, 260. C @ 28. min; Tstart: 30. C
CapillaryVF-5 MS1023.Leffingwell and Alford, 201160. m/0.32 mm/0.25 «mu»m, Helium, 2. K/min, 260. C @ 28. min; Tstart: 30. C
CapillaryPONA1014.Zhang, Ding, et al., 200950. m/0.20 mm/0.50 «mu»m, Nitrogen, 35. C @ 15. min, 2. K/min, 200. C @ 10. min
CapillaryHP-5 MS993.Zhao, Zeng, et al., 200930. m/0.25 mm/0.25 «mu»m, Helium, 4. K/min; Tstart: 50. C; Tend: 280. C
Capillary5 % Phenyl methyl siloxane976.Ramirez R. and Cava R., 200730. m/0.25 mm/1. «mu»m, He, 40. C @ 10. min, 7. K/min, 250. C @ 5. min
CapillaryHP-5997.5Leffingwell and Alford, 200560. m/0.32 mm/0.25 «mu»m, He, 30. C @ 2. min, 2. K/min, 260. C @ 28. min
CapillarySPB-51034.Sebastian, Viallon-Fernandez, et al., 200360. m/0.32 mm/1.0 «mu»m, Helium, 3. K/min; Tstart: 30. C; Tend: 230. C
CapillaryDB-5MS962.Damon, Hernández, et al., 2002He, 50. C @ 2. min, 15. K/min, 280. C @ 10. min; Column length: 30. m; Column diameter: 0.25 mm
CapillaryDB-5MS998.Fernando and Grün, 200160. m/0.25 mm/0.25 «mu»m, He, 35. C @ 5. min, 3. K/min; Tend: 250. C
CapillaryBP-11019.Health Safety Executive, 200050. m/0.22 mm/0.75 «mu»m, He, 5. K/min; Tstart: 50. C; Tend: 200. C
CapillaryOV-11005.Orav, Kailas, et al., 19992. K/min; Tstart: 50. C; Tend: 160. C
CapillaryOV-1011000.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
CapillaryHP-51028.2Wang and Fingas, 199530. m/0.25 mm/0.25 «mu»m, He, 35. C @ 2. min, 10. K/min, 300. C @ 10. min
CapillaryDB-5 MS966.Gomez and Ledbetter, 1994Helium, 4. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tstart: 50. C; Tend: 250. C
CapillaryDB-11016.Ciccioli, Cecinato, et al., 199260. m/0.32 mm/1.2 «mu»m, He, 30. C @ 10. min, 3. K/min; Tend: 240. C
CapillaryCP Sil 5 CB1000.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-101981.Misharina, Golovnya, et al., 199150. m/0.32 mm/0.5 «mu»m, He, 4. K/min; Tstart: 50. C; Tend: 250. C
CapillaryOV-1011010.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-301007.Heydanek and McGorrin, 1981He, 40. C @ 3. min, 3. K/min; Column length: 50. m; Column diameter: 0.5 mm; Tend: 170. C
PackedApiezon L976.Dahlmann, Köser, et al., 1979Chromosorb G-AW-DMCS, 10. K/min; Column length: 2. m; Tstart: 25. C

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

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-5 MS1020.Kotowska, Zalikowski, et al., 201230. m/0.25 mm/0.25 «mu»m, Helium; Program: not specified
CapillaryPolydimethyl siloxane with 5 % Ph groups1027.Robinson, Adams, et al., 2012Program: not specified
CapillaryPolydimethyl siloxane with 5 % Ph groups1033.Robinson, Adams, et al., 2012Program: not specified
CapillaryDB-5 MS981.Cajka, Hajslova, et al., 200730. m/0.25 mm/0.25 «mu»m, Helium; Program: 45 0C (0.75 min) 10 0C/min -> 200 0C 30 0C/min -> 245 0C (1.25 min)
CapillaryMethyl Silicone1022.Blunden, Aneja, et al., 200560. m/0.32 mm/1.0 «mu»m, Helium; Program: -50 0C (2 min) 8 0C/min -> 200 0C (7.75 min) 25 0C -> 225 0C (8 min)
CapillaryBP-51006.Eyres, Dufour, et al., 200525. m/0.32 mm/0.50 «mu»m, Helium; Program: 60 0C 6 0C/min -> 210 0C 10 0C/min -> 290 0C (10 min)
CapillaryBP-5996.Eyres, Dufour, et al., 200525. m/0.32 mm/0.50 «mu»m, Helium; Program: not specified
CapillaryHP-5MS1019.Vichi, Pizzale, et al., 200530. m/0.25 mm/0.25 «mu»m; Program: 40C(3min) => 4C/min => 75C => 8C/min => 250C
CapillaryPolymethylsiloxane, (PMS-20000)1006.Cornwell and Cordano, 2003Program: not specified
CapillaryMethyl phenyl siloxane (not specified)1002.Poligne, Collignan, et al., 2002Program: not specified
CapillaryOV-1011016.Zhu and Wang, 2001Program: not specified
CapillaryDB-11000.Zhu and Wang, 2001Program: not specified
CapillaryMethyl Silicone1007.Spieksma, 1999Program: not specified
CapillarySE-301006.Xiuhua, Zhang, et al., 1996Program: not specified
CapillarySE-301011.Xiuhua, Zhang, et al., 1996Program: not specified
CapillaryMethyl Silicone1011.Zenkevich, 1995Program: not specified
CapillaryDB-11003.Ciccioli, Cecinato, et al., 199460. m/0.32 mm/0.25 «mu»m; Program: not specified
CapillaryOV-1011016.Dimov, Osman, et al., 1994Program: not specified
CapillaryOV-11014.6Engewald 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-11022.9Engewald 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-11020.5Engewald 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-11021.9Engewald 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
CapillarySqualane1012.4Dimov and Mekenyan, 1989Program: not specified
CapillarySE-521033.van Langenhove and Schamp, 1986Column length: 100. m; Column diameter: 0.50 mm; Program: not specified
CapillaryOV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.1004.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.1006.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.1009.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.1011.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified

Normal alkane RI, polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
CapillaryCarbowax 20M90.1302.Sutter, Peterson, et al., 1997 

Normal alkane RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-Wax1327.Umano, Hagi, et al., 200060. m/0.25 mm/0.25 «mu»m, He, 40. C @ 2. min, 2. K/min; Tend: 200. C
CapillarySupelcowax-101332.Hsieh, Williams, et al., 198960. m/0.25 mm/0.25 «mu»m, He, 40. C @ 5. min, 1. K/min; Tend: 175. C

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryInnowax FSC1355.Polatoglu, Demirci, et al., 201060. m/0.25 mm/0.25 «mu»m, Helium; Program: 60 0C (10 min) 4 0C/min -> 220 0C (10 min) 1 0C/min -> 240 0C
CapillarySupelcowax-101344.Vichi, Guadayol, et al., 200730. m/0.25 mm/0.25 «mu»m, He; Program: 40C(3min) => 4C/min => 75C => 8C/min => 250C(5min)
CapillaryHP-Innowax FSC1355.Erdurak, Coskun, et al., 200660. m/0.25 mm/0.25 «mu»m, He; Program: 60C(10min) => 4C/min => 220C (10min) => 1C/min => 240C
CapillarySupelcowax-101322.Vichi, Pizzale, et al., 200530. m/0.25 mm/0.25 «mu»m; Program: 40C(3min) => 4C/min => 75C => 8C/min => 250C
CapillaryInnowax FSC1355.Baser, Özek, et al., 200460. m/0.25 mm/0.25 «mu»m, He; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C
CapillaryCarbowax 20M1325.Cornwell and Cordano, 2003Program: not specified
CapillaryInnowax FSC1355.Baser, Demirei, et al., 200260. m/0.25 mm/0.25 «mu»m, He; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C
CapillaryHP-Innowax1355.Gören, Demirci, et al., 200160. m/0.25 mm/0.25 «mu»m, He; Program: 60 0C (10 min) 4 K/min -> 220 0C (10 min) 1 K/min -> 240 0C
CapillaryCarbowax 20M1302.Ivanciuc, Ivanciuc, et al., 2001Program: not specified
CapillaryPEG-20M1325.Xiuhua, Zhang, et al., 1996Program: not specified
CapillaryCarbowax 20M1308.Dimov and Mekenyan, 1989Program: not specified

Lee's RI, non-polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-5162.6Fuentes, Font, et al., 2007Column length: 60. m; 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), 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.

Johnson, Prosen, et al., 1945
Johnson, W.H.; Prosen, E.J.; Rossini, F.D., Heats of combustion and isomerization of the eight C9H12 alkylbenzenes, J. Res. NBS, 1945, 35, 141-146. [all data]

Prosen, Johnson, et al., 1946
Prosen, E.J.; Johnson, W.H.; Rossini, F.D., Heats of combustion and formation at 25°C of the alkylbenzenes through C10H14, and of the higher normal monoalkylbenzenes, J. Res. NBS, 1946, 36, 455-461. [all data]

Taylor R.D., 1955
Taylor R.D., Entropy, heat capacity, and heats of transition of 1,2,3-trimethylbenzene, J. Chem. Phys., 1955, 23, 1225-1231. [all data]

Draeger, 1985
Draeger, J.A., The methylbenzenes II. Fundamental vibrational shifts, statistical thermodynamic functions, and properties of formation, J. Chem. Thermodyn., 1985, 17, 263-275. [all data]

Taylor W.J., 1946
Taylor W.J., Heats, equilibrium constants, and free energies of formation of the alkylbenzenes, J. Res. Nat. Bur. Stand., 1946, 37, 95-122. [all data]

Hastings S.H., 1957
Hastings S.H., Thermodynamic properties of selected methylbenzenes from 0 to 1000 K, J. Phys. Chem., 1957, 61, 730-735. [all data]

Thermodynamics Research Center, 1997
Thermodynamics Research Center, Selected Values of Properties of Chemical Compounds., Thermodynamics Research Center, Texas A&M University, College Station, Texas, 1997. [all data]

Taylor, Johnson, et al., 1955
Taylor, R.D.; Johnson, B.H.; Kilpatrick, J.E., Entropy, heat capacity, and heats of transition of 1,2,3-trimethylbenzene, J. Chem. Phys., 1955, 23, 1225-1231. [all data]

Taylor, Johnson, et al., 1955, 2
Taylor, R.D.; Johnson, B.H.; Kilpatrick, J.E., Entropy, Heat Capacity and Heats of Trans. of 1,2,3-Trimethylbenzene, J. Chem. Phys., 1955, 23, 1225. [all data]

Kilpatrick, 1953
Kilpatrick, J.E., Unpublished, 1953. [all data]

Tsonopoulos and Ambrose, 1995
Tsonopoulos, C.; Ambrose, D., Vapor-Liquid Critical Properties of Elements and Compounds. 3. Aromatic Hydrocarbons, J. Chem. Eng. Data, 1995, 40, 547-558. [all data]

Kay and Pak, 1980
Kay, W.B.; Pak, S.C., Determination of the critical constants of high-boiling hydrocarbons. Experiments with gallium as a containing fluid, J. Chem. Thermodyn., 1980, 12, 673. [all data]

Ambrose, Broderick, et al., 1967
Ambrose, D.; Broderick, B.E.; Townsend, R., The Vapour Pressures above the Normal Boiling Point and the Critical Pressures of Some Aromatic Hydrocarbons, J. Chem. Soc. , 1967, 1967, 1967, 633-41. [all data]

Ambrose, Cox, et al., 1960
Ambrose, D.; Cox, J.D.; Townsend, R., The critical temperatures of forty organic compounds, Trans. Faraday Soc., 1960, 56, 1452. [all data]

Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [all data]

Forziati, Norris, et al., 1949
Forziati, Alphonse F.; Norris, William R.; Rossini, Frederick D., Vapor pressures and boiling points of sixty API-NBS hydrocarbons, J. RES. NATL. BUR. STAN., 1949, 43, 6, 555-17, https://doi.org/10.6028/jres.043.050 . [all data]

Hopke and Sears, 1948
Hopke, E.R.; Sears, G.W., Vapor Pressures of Trimethylbenzenes in the Low Pressure Region 1,2, J. Am. Chem. Soc., 1948, 70, 11, 3801-3803, https://doi.org/10.1021/ja01191a077 . [all data]

Forziati, Norris, et al., 1949, 2
Forziati, A.F.; Norris, W.R.; Rossini, F.D., Vapor Pressures and Boiling Points of Sixty API-NBS Hydrocarbons, J. Res. Natl. Bur. Stand. (U.S.), 1949, 43, 6, 555-563, https://doi.org/10.6028/jres.043.050 . [all data]

Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D., Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III, J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985 . [all data]

Lias and Ausloos, 1978
Lias, S.G.; Ausloos, P.J., eIonization energies of organic compounds by equilibrium measurements, J. Am. Chem. Soc., 1978, 100, 6027. [all data]

Price, Bralsford, et al., 1959
Price, W.C.; Bralsford, R.; Harris, P.V.; Ridley, R.G., Ultra-violet spectra and ionization potentials of hydrocarbon molecules, Spectrochim. Acta, 1959, 14, 45. [all data]

Howell, Goncalves, et al., 1984
Howell, J.O.; Goncalves, J.M.; Amatore, C.; Klasinc, L.; Wightman, R.M.; Kochi, J.K., Electron transfer from aromatic hydrocarbons and their «pi»-complexes with metals. Comparison of the standard oxidation potentials and vertical ionization potentials, J. Am. Chem. Soc., 1984, 106, 3968. [all data]

Klessinger, 1972
Klessinger, M., Ionization potentials of substituted benzenes, Angew. Chem. Int. Ed. Engl., 1972, 11, 525. [all data]

Pérez-Parajón, Santiuste, et al., 2004
Pérez-Parajón, J.M.; Santiuste, J.M.; Takács, J.M., Sensitivity of the methylbenzenes and chlorobenzenes retention index to column temperature, stationary phase polarity, and number and chemical nature of substituents, J. Chromatogr. A, 2004, 1048, 2, 223-232, https://doi.org/10.1016/j.chroma.2004.07.028 . [all data]

Garay, 2000
Garay, F., Application of a flow-tunable, serially coupled gas chromatographic capillary column system for the analysis of complex mixtures, Chromatographia Sup., 2000, 51, 1, s108-s120, https://doi.org/10.1007/BF02492792 . [all data]

Zhu, Zhang, et al., 1999
Zhu, X.; Zhang, L.; Chen, J.; Wang, L.; Che, X., The application quantitative structure-retention relationship of GC to aid MS qualitative analysis, Chin. J. Chromatogr., 1999, 17, 4, 351-353. [all data]

Estel, Mohnke, et al., 1995
Estel, D.; Mohnke; Biermans; Rotzsche, The analysis of C4-C11 hydrocarbons in naphtha and reformate with a new apolar fused silica column, J. Hi. Res. Chromatogr., 1995, 18, 7, 403-412, https://doi.org/10.1002/jhrc.1240180703 . [all data]

Hongwei and Zhide, 1992
Hongwei, Z.; Zhide, H., Utilization of total solubility parameter for calculating retention indices of alkylbenzenes, Chromatographia, 1992, 33, 11/12, 575-580, https://doi.org/10.1007/BF02262251 . [all data]

Zhang, Li, et al., 1992
Zhang, M.J.; Li, S.D.; Chen, B.J., Compositional studies of high-temperature coal tar by GC/FTIR analysis of light oil fractions, Chromatographia, 1992, 33, 3/4, 138-146, https://doi.org/10.1007/BF02275894 . [all data]

Engewald and Maurer, 1990
Engewald, W.; Maurer, T., Enhanced possibilities for identification by the use of series-coupled capillary gas chromatographic columns. I. General exposition and application of the retention index concept, J. Chromatogr., 1990, 520, 3-13, https://doi.org/10.1016/0021-9673(90)85078-A . [all data]

Dimov and Mekenyan, 1989
Dimov, N.; Mekenyan, Ov., Quantitative Relationships Between the Structure of Alkylbenzenes and Their Gas Chromatographic Retention on Stationary Phasses with Different Polarity, J. Chromatogr., 1989, 471, 227-236, https://doi.org/10.1016/S0021-9673(00)94170-0 . [all data]

Matisová, Kovacicová, et al., 1989
Matisová, E.; Kovacicová, E.; Ha, P.T.; Kolek, E.; Engewald, W., Identification of alkylbenzenes up to C12 by capillary gas chromatography-mass spectrometry. II. Retention indices on OV-101 columns and retention-molecular structure correlations, J. Chromatogr., 1989, 475, 2, 113-123, https://doi.org/10.1016/S0021-9673(01)89667-9 . [all data]

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Notes

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