Benzene, 1,2,3-trimethyl-

Data at NIST subscription sites:

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.


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, 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-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

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), UV/Visible 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 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-58.6 ± 1.3kJ/molCcbJohnson, Prosen, et al., 1945Hf by Prosen, Johnson, et al., 1946; ALS
Quantity Value Units Method Reference Comment
Δcliquid-5198.0 ± 1.2kJ/molCcbJohnson, Prosen, et al., 1945Hf by Prosen, Johnson, et al., 1946; Corresponding Δfliquid = -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, 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, 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.
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 24 out of 29 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus247.7 ± 0.2KAVGN/AAverage of 13 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
Δvap49.0 ± 0.2kJ/molAVGN/AAverage of 7 values; Individual data points

Enthalpy of vaporization

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

Antoine Equation Parameters

log10(P) = A − (B / (T + C))
    P = vapor pressure (bar)
    T = temperature (K)

View plot Requires a JavaScript / HTML 5 canvas capable browser.

Temperature (K) A B C Reference
363.48 to 450.284.165721593.958-66.072Forziati, Norris, et al., 1949, 2

Enthalpy of fusion

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

Entropy of fusion

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

Enthalpy of phase transition

ΔHtrs (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

ΔStrs (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

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible 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: 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

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Henry's Law data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible 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 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

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Henry's Law data, Gas phase ion energetics data, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, 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, Henry's Law data, Gas phase ion energetics data, IR Spectrum, UV/Visible 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

Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.

Mass spectrum
For Zoom
1.) Enter the desired X axis range (e.g., 100, 200)
2.) Check here for automatic Y scaling
3.) Press here to zoom

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 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, 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

Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.

UVVis spectrum
For Zoom
1.) Enter the desired X axis range (e.g., 100, 200)
2.) Check here for automatic Y scaling
3.) Press here to zoom

Additional Data

View image of digitized spectrum (can be printed in landscape orientation).

View spectrum image in SVG format.

Download spectrum in JCAMP-DX format.

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, 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 μm
CapillaryHP-5120.1043.5Pérez-Parajón, Santiuste, et al., 200460. m/0.25 mm/0.25 μm
CapillaryHP-10160.1001.05Garay, 200050. m/0.2 mm/0.2 μm, 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 μm
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. μm
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. μm, 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 μm, He, 50. C @ 2. min, 6. K/min; Tend: 300. C
CapillarySE-541012.Rembold, Wallner, et al., 198930. m/0.25 mm/0.25 μm, He, 0. C @ 12. min, 12. K/min; Tend: 250. C
CapillaryOV-1011004.Hayes and Pitzer, 1982110. m/0.25 mm/0.20 μm, 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 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
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 μm
CapillaryZB-Wax120.1382.9Pérez-Parajón, Santiuste, et al., 200460. m/0.25 mm/0.25 μm
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 μm, 2. K/min; Tstart: 50. C; Tend: 270. C
CapillaryDB-Petro1005.7Pang T., Zhu S., et al., 200750. m/0.2 mm/0.5 μm, 2. K/min; Tstart: 50. C; Tend: 270. C
CapillaryHP-5999.Solina, Baumgartner, et al., 200525. m/0.2 mm/1. μm, 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 μm, 40. C @ 2. min, 4. K/min, 280. C @ 5. min
CapillaryPetrocol DH1012.4Censullo, Jones, et al., 200350. m/0.25 mm/0.5 μm, He, 35. C @ 10. min, 3. K/min, 200. C @ 10. min
CapillaryDB-51016.0Song, Lai, et al., 200330. m/0.25 mm/0.25 μm, He, 2. K/min; Tstart: 40. C; Tend: 310. C
CapillaryDB-51019.9Song, Lai, et al., 200330. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 40. C; Tend: 310. C
CapillaryDB-51022.7Song, Lai, et al., 200330. m/0.25 mm/0.25 μm, He, 6. K/min; Tstart: 40. C; Tend: 310. C
CapillaryDB-51032.8Xu, van Stee, et al., 200330. m/0.25 mm/1. μm, He, 2.5 K/min; Tstart: 50. C; Tend: 200. C
CapillaryHP-51018.Isidorov, Krajewska, et al., 200130. m/0.25 mm/0.25 μm, 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 μm, 40. C @ 8. min, 2. K/min; Tend: 200. C
CapillarySE-541027.0Kivi-Etelätalo, Kostiainen, et al., 199750. m/0.32 mm/1. μm, 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 μm, He, 2. K/min; Tstart: 40. C; Tend: 310. C
CapillaryDB-51019.9Lai and Song, 199530. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 40. C; Tend: 310. C
CapillaryDB-51022.7Lai and Song, 199530. m/0.25 mm/0.25 μm, 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 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C
CapillaryPetrocol DH1005.04White, Douglas, et al., 1992100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C
CapillaryPetrocol DH1005.White, Hackett, et al., 1992100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C
CapillaryDB-51017.Morinaga, Hara, et al., 199015. m/0.53 mm/1.5 μm, He, 4. K/min; Tstart: 40. C; Tend: 90. C
CapillaryUltra-11004.77Steward and Pitzer, 198850. m/0.2 mm/0.33 μm, He, 2. K/min; Tstart: 0. C; Tend: 240. C
CapillarySE-301008.9Krupcík, Repka, et al., 198760. m/0.25 mm/1. μm, H2, 1. K/min; Tstart: 60. C
CapillaryUltra-1997.82Haynes and Pitzer, 198550. m/0.22 mm/0.33 μm, He, 1. K/min; Tstart: -30. C; Tend: 240. C
CapillaryUltra-11002.62Haynes and Pitzer, 198550. m/0.22 mm/0.33 μm, He, 2. K/min; Tstart: -30. C; Tend: 240. C
CapillaryUltra-11005.67Haynes and Pitzer, 198550. m/0.22 mm/0.33 μm, He, 3. K/min; Tstart: -30. C; Tend: 240. C
CapillaryUltra-21017.96Haynes and Pitzer, 198550. m/0.22 mm/0.33 μm, He, 1. K/min; Tstart: -30. C; Tend: 240. C
CapillaryUltra-21023.11Haynes and Pitzer, 198550. m/0.22 mm/0.33 μm, He, 2. K/min; Tstart: -30. C; Tend: 240. C
CapillaryUltra-21026.55Haynes and Pitzer, 198550. m/0.22 mm/0.33 μm, He, 3. K/min; Tstart: -30. C; Tend: 240. C
CapillaryOV-1011004.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
CapillaryMethyl Silicone1027.65Hassoun, 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)
CapillaryDB-11009.Mattinen, Tuominen, et al., 199530. m/0.32 mm/1. μm, 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 μm, He, 40. C @ 2. min, 4. K/min; Tend: 280. C
CapillaryCarbowax1369.6Censullo, Jones, et al., 200360. m/0.25 mm/0.5 μm, 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 μm, 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 μm, 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 μm, 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 μm, 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 μm, 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 μm, 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 μm, He, 40. C @ 5. min, 2. K/min, 195. C @ 40. min
CapillarySupelcowax-101343.Tanchotikul and Hsieh, 198960. m/0.25 mm/0.25 μm, 40. C @ 5. min, 2. K/min, 175. C @ 20. min
CapillarySupelcowax-101343.Tanchotikul and Hsieh, 198960. m/0.25 mm/0.25 μm, 40. C @ 5. min, 2. K/min, 175. C @ 20. min
CapillarySupelcowax-101342.Vejaphan, Hsieh, et al., 198860. m/0.25 mm/0.25 μm, 40. C @ 5. min, 2. K/min, 175. C @ 20. min
CapillarySupelcowax-101342.Vejaphan, Hsieh, et al., 198860. 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

View large format table.

Column type Active phase I Reference Comment
CapillarySupelcowax-101340.Bianchi, Careri, et al., 200730. m/0.25 mm/0.25 μm, 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 μm, 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 μm, 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 μm, Helium, 35. C @ 5. min, 3. K/min, 300. C @ 15. min
CapillaryPetrocol DH1009.Supelco, 2012100. m/0.25 mm/0.50 μm, 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 μm, Helium, 2. K/min, 260. C @ 28. min; Tstart: 30. C
CapillaryVF-5 MS1023.Leffingwell and Alford, 201160. m/0.32 mm/0.25 μm, Helium, 2. K/min, 260. C @ 28. min; Tstart: 30. C
CapillaryPONA1014.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-5 MS993.Zhao, Zeng, et al., 200930. m/0.25 mm/0.25 μm, 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. μm, He, 40. C @ 10. min, 7. K/min, 250. C @ 5. min
CapillaryHP-5997.5Leffingwell and Alford, 200560. m/0.32 mm/0.25 μm, 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 μm, 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 μm, He, 35. C @ 5. min, 3. K/min; Tend: 250. C
CapillaryBP-11019.Health Safety Executive, 200050. m/0.22 mm/0.75 μm, 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 μm, Helium, 30. C @ 6. min, 1. K/min; Tend: 100. C
CapillaryHP-51028.2Wang and Fingas, 199530. m/0.25 mm/0.25 μm, 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 μm, 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 μm, 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 μm, 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 μm, 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 μm, 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 μm, 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 μm, 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 μm, Helium; Program: not specified
CapillaryHP-5MS1019.Vichi, Pizzale, et al., 200530. m/0.25 mm/0.25 μm; 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 μm; 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 μm, He, 40. C @ 2. min, 2. K/min; Tend: 200. C
CapillarySupelcowax-101332.Hsieh, Williams, et al., 198960. m/0.25 mm/0.25 μm, 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 μm, 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 μm, 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 μm, He; Program: 60C(10min) => 4C/min => 220C (10min) => 1C/min => 240C
CapillarySupelcowax-101322.Vichi, Pizzale, et al., 200530. m/0.25 mm/0.25 μm; Program: 40C(3min) => 4C/min => 75C => 8C/min => 250C
CapillaryInnowax FSC1355.Baser, Özek, et al., 200460. m/0.25 mm/0.25 μm, 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 μm, He; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C
CapillaryHP-Innowax1355.Gören, Demirci, et al., 200160. m/0.25 mm/0.25 μm, 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, 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 π-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]

Matisová, Rukríglová, et al., 1988
Matisová, E.; Rukríglová, M.; Krupcík, J.; Kovacicová, E.; Holotík, S., Identification of alkylbenzenes up to C12 by capillary gas chromatography and combined gas chromatography-mass spectrometry. I. OV-101 as stationary phase, J. Chromatogr., 1988, 455, 301-309, https://doi.org/10.1016/S0021-9673(01)82129-4 . [all data]

Nabivach and Vasiliev, 1987
Nabivach, V.M.; Vasiliev, E.E.E., Correlation dependencies of GC retention indices from physical chemical properties and structures of aromatic hydrocarbons, Izv. Vyssh. Uchebn. Zaved. Khim. Khim. Tekhnol., 1987, 30, 72-75. [all data]

Boneva, Papazova, et al., 1983
Boneva, St.; Papazova, D.; Dimov, N., Retention Indices of aromatic hydrocarbons on glass and metal capillary columns with stationary phase OV-101, Jahrb. Chem. Tech. Hochschule Burgas, 1983, 18, 143-148. [all data]

Kugucheva and Mashinsky, 1983
Kugucheva, E.E.; Mashinsky, V.I., Retention Indices of Aromatic Hydrocarbons on Capillary Columns with Squalan and Polyphenyl Ether, Zh. Anal. Khim. (Rus), 1983, 38, 11, 2023-2026. [all data]

Lubeck and Sutton, 1983
Lubeck, A.J.; Sutton, DL., Kovats retention indices of selected hydrocarbons through C10 on bonded phase fused silica capillaries, J. Hi. Res. Chromatogr. Chromatogr. Comm., 1983, 6, 6, 328-332, https://doi.org/10.1002/jhrc.1240060612 . [all data]

Tóth, 1983
Tóth, T., Use of capillary gas chromatography in collecting retention and chemical information for the analysis of complex petrochemical mixtures, J. Chromatogr., 1983, 279, 157-165, https://doi.org/10.1016/S0021-9673(01)93614-3 . [all data]

Bredael, 1982
Bredael, P., Retention indices of hydrocarbons on SE-30, J. Hi. Res. Chromatogr. Chromatogr. Comm., 1982, 5, 6, 325-328, https://doi.org/10.1002/jhrc.1240050610 . [all data]

Gerasimenko and Nabivach, 1982
Gerasimenko, V.A.; Nabivach, V.M., Relationship between molecular structure and gas chromatographic retention of alkylbenzenes C8-C1 2 on polydimethylsiloxane, Zh. Anal. Khim., 1982, 37, 110-116. [all data]

Macák, Nabivach, et al., 1982
Macák, J.; Nabivach, V.; Buryan, P.; Sindler, S., Dependence of retention indices of alkylbenzenes on their molecular structure, J. Chromatogr., 1982, 234, 2, 285-302, https://doi.org/10.1016/S0021-9673(00)81867-1 . [all data]

Gerasimenko, Kirilenko, et al., 1981
Gerasimenko, V.A.; Kirilenko, A.V.; Nabivach, V.M., Capillary gas chromatography of aromatic compounds found in coal tar fractions, J. Chromatogr., 1981, 208, 1, 9-16, https://doi.org/10.1016/S0021-9673(00)87953-4 . [all data]

Nabivach and Kirilenko, 1980
Nabivach, V.M.; Kirilenko, A.V., Relationship between the gas chromatographic behaviour and the molecular structure of hydrocarbon samples and various stationary phases. Part II. Correlation between the retention index, physicochemical properties and molecular structure, Chromatographia, 1980, 13, 2, 93-100, https://doi.org/10.1007/BF02263060 . [all data]

Nabivach and Kirilenko, 1979
Nabivach, V.M.; Kirilenko, A.V., The use of retention indices for identifying the components of crude benzene, Solid Fuel Chem. (Engl. Transl.), 1979, 13, 3, 82-87. [all data]

Nabivach, Bur'yan, et al., 1978
Nabivach, V.M.; Bur'yan, P.; Matsak, I., Retention indices of aromatic hydrocarbons on a squalane capillary column, Zh. Anal. Khim., 1978, 33, 7, 1108-1113. [all data]

Engewald and Wennrich, 1976
Engewald, W.; Wennrich, L., Molekülstruktur und Retentionsverhalten. VIII. Zum Retentionsverhalten höherer Alkylbenzole bei der Gas-Verteilungs-Chromatographie, Chromatographia, 1976, 9, 11, 540-547, https://doi.org/10.1007/BF02275960 . [all data]

Soják and Rijks, 1976
Soják, L.; Rijks, J.A., Capillary gas chromatography of alkylbenzenes. I. Some problems encountered with the precision of the retention indcies of alkylbenzenes, J. Chromatogr., 1976, 119, 505-521, https://doi.org/10.1016/S0021-9673(00)86812-0 . [all data]

Mitra, Mohan, et al., 1974
Mitra, G.D.; Mohan, G.; Sinha, A., Advances in the utilization of the retention index system for characterizing hydrocarbons in complex mixtures by gas chromatography, J. Chromatogr., 1974, 99, 215-230, https://doi.org/10.1016/S0021-9673(00)90857-4 . [all data]

Mitra, Mohan, et al., 1974, 2
Mitra, G.D.; Mohan, G.; Sinha, A., Gas chromatographic analysis of complex hydrocarbon mixtures, J. Chromatogr. A, 1974, 91, 633-648, https://doi.org/10.1016/S0021-9673(01)97944-0 . [all data]

Svob and Deur-Siftar, 1974
Svob, V.; Deur-Siftar, D., Kovats Retention Indices in the Identification of Alkylbenzene Degradation Products, J. Chromatogr., 1974, 91, 677-689, https://doi.org/10.1016/S0021-9673(01)97947-6 . [all data]

Agrawal, Tesarík, et al., 1972
Agrawal, B.B.; Tesarík, K.; Janák, J., Gas chromatographic characterization of sulphur compounds in the 93-162° gasoline cut from Romashkino crude oil using Kováts retention indices, J. Chromatogr., 1972, 65, 1, 207-215, https://doi.org/10.1016/S0021-9673(00)86933-2 . [all data]

Soják and Bucinská, 1970
Soják, L.; Bucinská, A., Open tubular column gas chromatography of dehydrogenation products of C6-C10 n-alkanes. Separation and identification of mixtures of C6-C10 straight-chain alkanes, alkenes and aromatics, J. Chromatogr., 1970, 51, 75-82, https://doi.org/10.1016/S0021-9673(01)96841-4 . [all data]

Buchin, Salmon, et al., 2002
Buchin, S.; Salmon, J.-C.; Carnat, A.-P.; Berger, T.; Bugaud, C.; Bosset, J.O., Identification de composés monoterpéniques, sesquiterpéniques et benzéniques dans un lait d'alpage très riche en ces substances, Mitt. Lebensmittelunters. Hyg., 2002, 93, 199-216. [all data]

Wang, Fingas, et al., 1994
Wang, Z.; Fingas, M.; Li, K., Fractionation of a light crude oil and identification and quantitation of aliphatic, aromatic, and biomarker comopunds by GC-FID and GC-MS, Part II, J. Chromatogr. Sci., 1994, 32, 9, 367-382, https://doi.org/10.1093/chromsci/32.9.367 . [all data]

Rembold, Wallner, et al., 1989
Rembold, H.; Wallner, P.; Nitz, S.; Kollmannsberger, H.; Drawert, F., Volatile components of chickpea (Cicer arietinum L.) seed, J. Agric. Food Chem., 1989, 37, 3, 659-662, https://doi.org/10.1021/jf00087a018 . [all data]

Hayes and Pitzer, 1982
Hayes, P.C., Jr.; Pitzer, E.W., Characterizing petroleum- and shale-derived jet fuel distillates via temperature-programmed Kováts indices, J. Chromatogr., 1982, 253, 179-198, https://doi.org/10.1016/S0021-9673(01)88376-X . [all data]

Louis, 1971
Louis, R., Kovats-index-tafeln zur gaschromatographischen analyse von kohlenwasserstoffgemischen, Erdoel Kohle Erdgas Petrochem., 1971, 24, 2, 88-94. [all data]

Haagen-Smit Laboratory, 1997
Haagen-Smit Laboratory, Procedure for the detailed hydrocarbon analysis of gasolines by single column high efficiency (capillary) column gas chromatography, SOP NO. MLD 118, Revision No. 1.1, California Environmental Protection Agency, Air Resources Board, El Monte, California, 1997, 22. [all data]

Hoekman, 1993
Hoekman, S.K., Improved gas chromatography procedure for speciated hydrocarbon measurements of vehicle emissions, J. Chromatogr., 1993, 639, 2, 239-253, https://doi.org/10.1016/0021-9673(93)80260-F . [all data]

Papazova and Pankova, 1975
Papazova, D.I.; Pankova, M.C., Identification of individual aromatic hydrocarbons in kerosene fraction (b.p. 150-250 °), J. Chromatogr., 1975, 105, 2, 411-414, https://doi.org/10.1016/S0021-9673(01)82276-7 . [all data]

Egazaryants and Maximov, 1998
Egazaryants, S.V.; Maximov, A.L., Analysis of Gasoline Fractions by Capillary GC in 20th International Symposium on Capillary Chromatography, 1998, 1-6. [all data]

Döring, Estel, et al., 1974
Döring, C.E.; Estel, D.; Fischer, R., Kapillar-gaschromatographische Charakterisierung von C10-bis C12-Aromaten, J. Prakt. Chem., 1974, 316, 1, 1-12, https://doi.org/10.1002/prac.19743160102 . [all data]

Pang T., Zhu S., et al., 2007
Pang T.; Zhu S.; Lu X.; Xu G., Identification of unknown compounds on the basis of retention index data in comprehensive two-dimensional gas chromatography, J. Sep. Sci., 2007, 30, 6, 868-874, https://doi.org/10.1002/jssc.200600471 . [all data]

Solina, Baumgartner, et al., 2005
Solina, M.; Baumgartner, P.; Johnson, R.L.; Whitfield, F.B., Volatile aroma components of soy protein isolate and acid-hydrolysed vegetable protein, Food Chem., 2005, 90, 4, 861-873, https://doi.org/10.1016/j.foodchem.2004.06.005 . [all data]

Hierro, de la Hoz, et al., 2004
Hierro, E.; de la Hoz, L.; Ordóñez, J.A., Headspace volatile compounds from salted and occasionally smoked dried meats (cecinas) as affected by animal species, Food Chem., 2004, 85, 4, 649-657, https://doi.org/10.1016/j.foodchem.2003.07.001 . [all data]

Censullo, Jones, et al., 2003
Censullo, A.C.; Jones, D.R.; Wills, M.T., Speciation of the volatile organic compounds (VOCs) in solventborne aerosol coatings by solid phase microextraction-gas chromatography, J. Coat. Technol., 2003, 75, 936, 47-53, https://doi.org/10.1007/BF02697922 . [all data]

Song, Lai, et al., 2003
Song, C.; Lai, W.-C.; Madhusudan Reddy, K.; Wei, B., Chapter 7. Temperature-programmed retention indices for GC and GC-MS of hydrocarbon fuels and simulated distillation GC of heavy oils in Analytical advances for hydrocarbon research, Hsu,C.S., ed(s)., Kluwer Academic/Plenum Publishers, New York, 2003, 147-193. [all data]

Xu, van Stee, et al., 2003
Xu, X.; van Stee, L.L.P.; Williams, J.; Beens, J.; Adahchour, M.; Vreuls, R.J.J.; Brinkman, U.A.Th.; Lelieveld, J., Comprehensive two-dimensional gas chromatography (GC×GC) measurements of volatile organic compounds in the atmosphere, Atmos. Chem. Phys., 2003, 3, 3, 665-682, https://doi.org/10.5194/acp-3-665-2003 . [all data]

Isidorov, Krajewska, et al., 2001
Isidorov, V.A.; Krajewska, U.; Dubis, E.N.; Jdanova, M.A., Partition coefficients of alkyl aromatic hydrocarbons and esters in a hexane-acetonitrile system, J. Chromatogr. A, 2001, 923, 1-2, 127-136, https://doi.org/10.1016/S0021-9673(01)00929-3 . [all data]

Yin, Liu, et al., 2001
Yin, C.; Liu, W.; Li, Z.; Pan, Z.; Lin, T.; Zhang, M., Chemometrics to chemical modeling: structural coding in hydrocarbons and retention indices of gas chromatography, J. Sep. Sci., 2001, 24, 3, 213-220, https://doi.org/10.1002/1615-9314(20010301)24:3<213::AID-JSSC213>3.0.CO;2-4 . [all data]

Yassaa, Meklati, et al., 1999
Yassaa, N.; Meklati, B.Y.; Cecinato, A., Analysis of volatile organic compounds in the ambient air of Algiers by gas chromatography with a β-cyclodextrin capillary column, J. Chromatogr. A, 1999, 846, 1-2, 287-293, https://doi.org/10.1016/S0021-9673(99)00327-1 . [all data]

Kivi-Etelätalo, Kostiainen, et al., 1997
Kivi-Etelätalo, E.; Kostiainen, O.; Kokko, M., Analysis of volatile organic compounds in air using retention indices together with a simple thermal desorption and cold trap method, J. Chromatogr. A, 1997, 787, 1-2, 205-214, https://doi.org/10.1016/S0021-9673(97)00663-8 . [all data]

Gautzsch and Zinn, 1996
Gautzsch, R.; Zinn, P., Use of incremental models to estimate the retention indexes of aromatic compounds, Chromatographia, 1996, 43, 3/4, 163-176, https://doi.org/10.1007/BF02292946 . [all data]

Lai and Song, 1995
Lai, W.-C.; Song, C., Temperature-programmed retention indices for g.c. and g.c.-m.s. analysis of coal- and petroleum-derived liquid fuels, Fuel, 1995, 74, 10, 1436-1451, https://doi.org/10.1016/0016-2361(95)00108-H . [all data]

Gómez, Ledbetter, et al., 1993
Gómez, E.; Ledbetter, C.A.; Hartsell, P.L., Volatile compounds in apricot, plum, and their interspecific hybrids, J. Agric. Food Chem., 1993, 41, 10, 1669-1676, https://doi.org/10.1021/jf00034a029 . [all data]

White, Douglas, et al., 1992
White, C.M.; Douglas, L.J.; Hackett, J.P.; Anderson, R.R., Characterization of synthetic gasoline from the chloromethane-zeolite reaction, Energy Fuels, 1992, 6, 1, 76-82, https://doi.org/10.1021/ef00031a012 . [all data]

White, Hackett, et al., 1992
White, C.M.; Hackett, J.; Anderson, R.R.; Kail, S.; Spock, P.S., Linear temperature programmed retention indices of gasoline range hydrocarbons and chlorinated hydrocarbons on cross-linked polydimethylsiloxane, J. Hi. Res. Chromatogr., 1992, 15, 2, 105-120, https://doi.org/10.1002/jhrc.1240150211 . [all data]

Morinaga, Hara, et al., 1990
Morinaga, M.; Hara, K.; Kageura, M.; Heida, Y.; Takamoto, M.; Kashimura, S., A simple, rapid and simultaneous analysis of complex volatile hydrocarbon mixtures in blood using gas chromatography/mass spectrometry with a wide-bore capillary column, Z. Rechtsmed., 1990, 103, 8, 567-572, https://doi.org/10.1007/BF01261420 . [all data]

Steward and Pitzer, 1988
Steward, E.M.; Pitzer, E.W., Gas Chromatographic Analyses of Complex Hydrocarbon Mixtures Void of n-Paraffin Retention Index Markers Using Joint Mass Spectral and Retention Index Libraries, J. Chromatogr. Sci., 1988, 26, 5, 218-222, https://doi.org/10.1093/chromsci/26.5.218 . [all data]

Krupcík, Repka, et al., 1987
Krupcík, J.; Repka, D.; Hevesi, T.; Garaj, J., Use of Kováts retention indices for characterizing solutes in complex samples separated by linear temperature-programmed capillary gas-liquid chromatography, J. Chromatogr., 1987, 406, 117-129, https://doi.org/10.1016/S0021-9673(00)94022-6 . [all data]

Haynes and Pitzer, 1985
Haynes, P.C., Jr.; Pitzer, E.W., Disengaging solutes in shale- and petroleum-derived jet fuels by altering GC programmed temperature rates, J. Hi. Res. Chromatogr. Chromatogr. Comm., 1985, 8, 5, 230-242, https://doi.org/10.1002/jhrc.1240080504 . [all data]

Hayes and Pitzer, 1981
Hayes, P.C., Jr.; Pitzer, E.W., Kovats indices as a tool in characterizing hydrocarbon fuels in temperature programmed glass capillary gas chromatography. Part 1. Qualitative identification, Inhouse rpt. for Air Force Wright Aeronautical Labs., Air Force Wright Aeronautical Labs., Wright-Patterson AFB, Ohio, 1981, 75. [all data]

Hassoun, Pilling, et al., 1999
Hassoun, S.; Pilling, M.J.; Bartle, K.D., A catalogue of urban hydrocarbons for the city of Leeds: atmospheric monitoring of volatile organic compounds by thermal desorption-gas chromatography, J. Environ. Monitor., 1999, 1, 5, 453-458, https://doi.org/10.1039/a904879k . [all data]

Mattinen, Tuominen, et al., 1995
Mattinen, M.-L.; Tuominen, J.; Saarela, K., Analysis of TVOC and certain selected compounds from indoor air using GC/FID-RIM technique, Indoor Air, 1995, 5, 1, 56-61, https://doi.org/10.1111/j.1600-0668.1995.t01-1-00009.x . [all data]

Elmore, Nisyrios, et al., 2005
Elmore, J.S.; Nisyrios, I.; Mottram, D.S., Analysis of the headspace aroma compounds of walnuts (Juglans regia L.), Flavour Fragr. J., 2005, 20, 5, 501-506, https://doi.org/10.1002/ffj.1477 . [all data]

Chung, Yung, et al., 2002
Chung, H.-Y.; Yung, I.K.S.; Ma, W.C.J.; Kim, J.-S., Analysis of volatile components in frozen and dried scallops (Patinopecten yessoensis) by gas chromatography/mass spectrometry, Food Res. Int., 2002, 35, 1, 43-53, https://doi.org/10.1016/S0963-9969(01)00107-7 . [all data]

Chung, Yung, et al., 2001
Chung, H.Y.; Yung, I.K.S.; Kim, J.-S., Comparison of volatile components in dried scallops (Chlamys farreri and Patinopecten yessoensis) prepared by boiling and steaming methods, J. Agric. Food Chem., 2001, 49, 1, 192-202, https://doi.org/10.1021/jf000692a . [all data]

Shimoda, Yoshimura, et al., 2001
Shimoda, M.; Yoshimura, Y.; Yoshimura, T.; Noda, K.; Osajima, Y., Volatile flavor compounds of sweetened condensed milk, J. Food Sci., 2001, 66, 6, 804-807, https://doi.org/10.1111/j.1365-2621.2001.tb15176.x . [all data]

Le Guen, Prost, et al., 2000
Le Guen, S.; Prost, C.; Demaimay, M., Characterization of odorant compounds of mussels (Mytilus edulis) according to their origin using gas chromatography-olfactometry and gas chromatography-mass spectrometry, J. Chromatogr. A, 2000, 896, 1-2, 361-371, https://doi.org/10.1016/S0021-9673(00)00729-9 . [all data]

Chevance and Farmer, 1999
Chevance, F.F.V.; Farmer, L.J., Identification of major volatile odor compounds in frankfurters, J. Agric. Food Chem., 1999, 47, 12, 5151-5160, https://doi.org/10.1021/jf990515d . [all data]

Chevance and Farmer, 1999, 2
Chevance, F.F.V.; Farmer, L.J., Release of volatile odor compounds from full-fat and reduced-fat frankfurters, J. Agric. Food Chem., 1999, 47, 12, 5161-5168, https://doi.org/10.1021/jf9905166 . [all data]

Chung, 1999
Chung, H.Y., Volatile components in crabmeats of Charybdis feriatus, J. Agric. Food Chem., 1999, 47, 6, 2280-2287, https://doi.org/10.1021/jf981027t . [all data]

Shiratsuchi, Shimoda, et al., 1994
Shiratsuchi, H.; Shimoda, M.; Imayoshi, K.; Noda, K.; Osajima, Y., Volatile flavor compounds in spray-dried skim milk powder, J. Agric. Food Chem., 1994, 42, 4, 984-988, https://doi.org/10.1021/jf00040a028 . [all data]

Sumitani, Suekane, et al., 1994
Sumitani, H.; Suekane, S.; Nakatani, A.; Tatsuka, K., Changes in composition of volatile compounds in high pressure treated peach, J. Agric. Food Chem., 1994, 42, 3, 785-790, https://doi.org/10.1021/jf00039a037 . [all data]

Chung and Cadwallader, 1993
Chung, H.Y.; Cadwallader, K.R., Volatile components in blue crab (Callinectes sapidus) meat and processing by-product, J. Food Sci., 1993, 58, 6, 1203-1207, https://doi.org/10.1111/j.1365-2621.1993.tb06148.x . [all data]

Tanchotikul and Hsieh, 1989
Tanchotikul, U.; Hsieh, T.C.-Y., Volatile Flavor Components in Crayfish Waste, J. Food Sci., 1989, 54, 6, 1515-1520, https://doi.org/10.1111/j.1365-2621.1989.tb05149.x . [all data]

Vejaphan, Hsieh, et al., 1988
Vejaphan, W.; Hsieh, T.C.Y.; Williams, S.S., Volatile flavor components from boiled crayfish (Procambarus clarkii) tail meat, J. Food Sci., 1988, 53, 6, 1666-1670, https://doi.org/10.1111/j.1365-2621.1988.tb07811.x . [all data]

Bianchi, Careri, et al., 2007
Bianchi, F.; Careri, M.; Mangia, A.; Musci, M., Retention indices in the analysis of food aroma volatile compounds in temperature-programmed gas chromatography: Database creation and evaluation of precision and robustness, J. Sep. Sci., 2007, 39, 4, 563-572, https://doi.org/10.1002/jssc.200600393 . [all data]

Alasalvar, Shahidi, et al., 2003
Alasalvar, C.; Shahidi, F.; Cadwallader, K.R., Comparison of natural and roasted Turkish Tombul hazelnut (Corylus avellana L.) volatiles and flavor by DHA/GC/MS and descriptive sensory analysis, J. Agric. Food Chem., 2003, 51, 17, 5067-5072, https://doi.org/10.1021/jf0300846 . [all data]

Berezkin, 1993
Berezkin, V.G., Linear correlation between retention indexes obtained in different laboratories on open tubular capillary columns with the same liquid stationary phase, Chem. Anal. (Warsaw), 1993, 38, 5, 649-651. [all data]

Tian, 1993
Tian, S., Analysis of the tower bottom oil of dimethylbenzene rectifying tower and C9 aromatic hydrocarbon fraction by capillary gas chromatography, Chin. J. Chromatogr., 1993, 11, 4, 202-206. [all data]

Wu and Lu, 1984
Wu, J.; Lu, W., Kovats indices of C4-C10 hydrocarbons in apolar quartz capillary OV-101, Chin. J. Chromatogr., 1984, 1, 1, 11-17. [all data]

Bermejo, Moinelo, et al., 1980
Bermejo, J.; Moinelo, S.R.; Suarez Canga, C., Calculo de indices de retencion a patir de DI y de la polaridad de la fase, Calculo de indices de retencion a patir de DI y de la polaridad de la fase, Instituto Nacional del Carbon y sus Derivados Francisco Pintado Fe (INCAR), La Corredoria, Oviedo, Espana, 1980, 13. [all data]

Sojak and Vigdergauz, 1978
Sojak, L.; Vigdergauz, M.S., Comparison of interpolation methods for the interpretation of retention data in gas chromatography, J. Chromatogr., 1978, 148, 1, 159-167, https://doi.org/10.1016/S0021-9673(00)99332-4 . [all data]

Bramston-Cook, 2013
Bramston-Cook, R., Kovats indices for C2-C13 hydrocarbons and selected oxygenated/halocarbons with 100 % dimethylpolysiloxane columns, 2013, retrieved from http://lotusinstruments.com/monographs/List .... [all data]

Kotowska, Zalikowski, et al., 2012
Kotowska, U.; Zalikowski, M.; Isidorov, V.A., HS-SPME/GC-MS analysis of volatile and semi-volatile organic compounds emitted from municipal sewage sludge, Environ. Monit. Asses., 2012, 184, 5, 2893-2907, https://doi.org/10.1007/s10661-011-2158-8 . [all data]

Supelco, 2012
Supelco, CatalogNo. 24160-U, Petrocol DH Columns. Catalog No. 24160-U, 2012, retrieved from http://www.sigmaaldrich.com/etc/medialib/docs/Supelco/Datasheet/1/w97949.Par.0001.File.tmp/w97949.pdf. [all data]

Leffingwell and Alford, 2011
Leffingwell, J.; Alford, E.D., Volatile constituents of the giant pufball mushroom (Calvatia gigantea), Leffingwell Rep., 2011, 4, 1-17. [all data]

Zhang, Ding, et al., 2009
Zhang, X.; Ding, L.; Sun, Z.; Song, L.; Sun, T., Study on quantitative structure-retention relationships for hydrocarbons in FCC gasoline, Chromatographia, 2009, 70, 3/4, 511-518, https://doi.org/10.1365/s10337-009-1174-0 . [all data]

Zhao, Zeng, et al., 2009
Zhao, C.; Zeng, Y.; Wan, M.; Li, R.; Liang, Y.; Li, C.; Zeng, Z.; Chau, F.-T., Comparative analysis of essential oils from eight herbal medicines with pungent flavor and cool nature by GC-MS and chemometric resolution methods, J. Sep. Sci., 2009, 32, 4, 660-670, https://doi.org/10.1002/jssc.200800484 . [all data]

Ramirez R. and Cava R., 2007
Ramirez R.; Cava R., Volatile profiles of dry-cured meat products from three different Iberian x Duroc genotypes, J. Agric. Food Chem., 2007, 55, 5, 1923-1931, https://doi.org/10.1021/jf062810l . [all data]

Leffingwell and Alford, 2005
Leffingwell, J.C.; Alford, E.D., Volatile constituents of Perique tobacco, Electron. J. Environ. Agric. Food Chem., 2005, 4, 2, 899-915. [all data]

Sebastian, Viallon-Fernandez, et al., 2003
Sebastian, I.; Viallon-Fernandez, C.; Berge, P.; Berdague, J.-L., Analysis of the volatile fraction of lamb fat tissue: influence of the type of feeding, Sciences des Aliments, 2003, 23, 4, 497-511, https://doi.org/10.3166/sda.23.497-511 . [all data]

Damon, Hernández, et al., 2002
Damon, A.A.; Hernández, A.S.; Rojas, J.C., Analysis of the fragrance produced by the epiphytic orchid Anathallis (Pleurothallis) racemiflora (orchidaceae) in the Soconusco region, Chiapas, Mexico, Lindleyana, 2002, 17, 2, 93-97. [all data]

Fernando and Grün, 2001
Fernando, L.N.; Grün, I.U., Headspace-SPME analysis of volatiles of the ridge gourd (Luffa acutangula) and bitter gourd (Momordica charantia) flowers, Flavour Fragr. J., 2001, 16, 4, 289-293, https://doi.org/10.1002/ffj.999 . [all data]

Health Safety Executive, 2000
Health Safety Executive, MDHS 96 Volatile organic compounds in air - Laboratory method using pumed solid sorbent tubes, solvent desorption and gas chromatography in Methods for the Determination of Hazardous Substances (MDHS) guidance, Crown, Colegate, Norwich, 2000, 1-24, retrieved from http://www.hse.gov.uk/pubns/mdhs/pdfs/mdhs96.pdf. [all data]

Orav, Kailas, et al., 1999
Orav, A.; Kailas, T.; Muurisepp, M.; Kann, J., Composition of the oil from waste tires. 2. Fraction boiling at 160-180 0C, Proc. Estonian Acad. Sci. Chem., 1999, 48, 3, 136-140. [all data]

Orav, Kailas, et al., 1999, 2
Orav, A.; Kailas, T.; Muurisepp, M.; Kann, J., Composition of the oil from waste tires. 1. Fraction boiling at yp to 160 0C, Proc. Estonian Acad. Sci. Chem., 1999, 48, 1, 30-39. [all data]

Wang and Fingas, 1995
Wang, Z.; Fingas, M., Differentiation of the source of spilled oil and monitoring of the oil weathering process using gas chromatography-mass spectrometry, J. Chromatogr. A, 1995, 712, 2, 321-343, https://doi.org/10.1016/0021-9673(95)00546-Y . [all data]

Gomez and Ledbetter, 1994
Gomez, E.; Ledbetter, C.A., Comparative study of the aromatic profiles of two different plum species: Prunus salicina Lindl and Prunus simonii L., J. Sci. Food Agric., 1994, 65, 1, 111-115, https://doi.org/10.1002/jsfa.2740650116 . [all data]

Ciccioli, Cecinato, et al., 1992
Ciccioli, P.; Cecinato, A.; Brancaleoni, E.; Frattoni, M.; Liberti, A., Use of carbon adsorption traps combined with high resolution gas chromatography - mass spectrometry for the analysis of polar and non-polar C4-C14 hydrocarbons involved in photochemical smog formation, J. Hi. Res. Chromatogr., 1992, 15, 2, 75-84, https://doi.org/10.1002/jhrc.1240150205 . [all data]

Hartgers, Damste, et al., 1992
Hartgers, W.A.; Damste, J.S.S.; de Leeuw, J.W., Identification of C2-C4 alkylated benzenes in flash pyrolysates of kerogens, coals and asphaltenes, J. Chromatogr., 1992, 606, 2, 211-220, https://doi.org/10.1016/0021-9673(92)87027-6 . [all data]

Misharina, Golovnya, et al., 1991
Misharina, T.A.; Golovnya, R.V.; Charnomskii, V.V., Volatile components of boiled shrimp funchalia woodwardi and crab geryon maritae, Zh. Anal. Khim., 1991, 46, 1421-1429. [all data]

Zenkevich and Ventura, 1991
Zenkevich, I.G.; Ventura, K., Gas Chromatographic Identification of Volatile Products of Thermal Degradation of Bitumen, Zh. Prikl. Khim. (Rus.), 1991, 9, 1974-1979. [all data]

Heydanek and McGorrin, 1981
Heydanek, M.G.; McGorrin, R.J., Gas chromatography-mass spectroscopy investigations on the flavor chemistry of oat groats, J. Agric. Food Chem., 1981, 29, 5, 950-954, https://doi.org/10.1021/jf00107a016 . [all data]

Dahlmann, Köser, et al., 1979
Dahlmann, G.; Köser, H.J.K.; Oelert, H.H., Multiple korrelation von retentionsindizes, Chromatographia, 1979, 12, 10, 665-671, https://doi.org/10.1007/BF02302943 . [all data]

Robinson, Adams, et al., 2012
Robinson, A.L.; Adams, D.O.; Boss, P.K.; Heymann, H.; Solomon, P.S.; Trengove, R.D., Influence of geographic origine on the sensory characteristics and wine composition of Vitus viniferas cv. Cabernet Sauvignon wines from Australia (Supplemental data), Am. J. Enol. Vitic., 2012, 64, 4, 467-476, https://doi.org/10.5344/ajev.2012.12023 . [all data]

Cajka, Hajslova, et al., 2007
Cajka, T.; Hajslova, J.; Cochran, J.; Holadova, K.; Klimankova, E., Solid phase microextraction - comprehensive two dimensional gas chromatography - time-of-flight mass spectrometry for the analysis of honey volatiles, J. Sep. Sci., 2007, 30, 4, 534-546, https://doi.org/10.1002/jssc.200600413 . [all data]

Blunden, Aneja, et al., 2005
Blunden, J.; Aneja, V.P.; Lonneman, W.A., Characterization of non-methane volatile organic compounds at swine facilities in eastern North Carolina, Atm. Environ., 2005, 39, 36, 6707-6718, https://doi.org/10.1016/j.atmosenv.2005.03.053 . [all data]

Eyres, Dufour, et al., 2005
Eyres, G.; Dufour, J.-P.; Hallifax, G.; Sotheeswaran, S.; Marriott, P.J., Identification of character-impact odorants in coriander and wild coriander leaves using gas chromatography-olfactometry (GCO) and comprehensive two-dimensional gas chromatography-time-of-flight mass spectrometry (GC×GC-TOFMS), J. Sep. Sci., 2005, 28, 9-10, 1061-1074, https://doi.org/10.1002/jssc.200500012 . [all data]

Vichi, Pizzale, et al., 2005
Vichi, S.; Pizzale, L.; Conte, L.S.; Buxaderas, S.; L´opez-Tamames, E., Simultaneous determination of volatile and semi-volatile aromatic hydrocarbons in virgin olive oil by headspace solid-phase microextraction coupled to gas chromatography/mass spectrometry, J. Chromatogr. A, 2005, 1090, 1-2, 146-154, https://doi.org/10.1016/j.chroma.2005.07.007 . [all data]

Cornwell and Cordano, 2003
Cornwell, E.; Cordano, G., Nueva proposicion para predecir datos de retencion obtenidos mediante cromatografia de gases de hidrocarburos derivados de las naftas, Revista de la Sociedad Quimica de Mexico, 2003, 47, 1, 38-43. [all data]

Poligne, Collignan, et al., 2002
Poligne, I.; Collignan, A.; Trystram, G., Effects of salting, drying, cooking, and smoking operations on volatile compound formation and collor patterns in pork, Food Eng. Physical Properties, 2002, 67, 8, 2976-2986. [all data]

Zhu and Wang, 2001
Zhu, X.; Wang, W., The relationship between partition coefficients of hydrocarbons and their retention indices, Acta Scientific Circumstantiae, 2001, 21, 5, 631-633. [all data]

Spieksma, 1999
Spieksma, W., Determination of vapor liquid equilibrium from the Kovats retention index on dimethylsilicone using the Wilson mixing tool, J. Hi. Res. Chromatogr., 1999, 22, 10, 565-588, https://doi.org/10.1002/(SICI)1521-4168(19991001)22:10<565::AID-JHRC565>3.0.CO;2-2 . [all data]

Xiuhua, Zhang, et al., 1996
Xiuhua, Zh.; Zhang, L.; Che, X., Prediction of the Kovats retention indexes of polysubstituted alkylbenzenes, Chin. J. Chromatogr., 1996, 14, 4, 244-248. [all data]

Zenkevich, 1995
Zenkevich, I.G., Calculation of Gas-Chromatographic Retention Indices from Physico-Chemical Constants of Organic Compounds, Z. Anal. Chem., 1995, 50, 10, 1048-1056. [all data]

Ciccioli, Cecinato, et al., 1994
Ciccioli, P.; Cecinato, A.; Brancaleoni, E.; Brachetti, A.; Frattoni, M.; Sparapani, R., Composition and Distribution of Polar and Non-Polar VOCs in Urban, Rural, Forest and Remote Areas, Eur Commission EUR, 1994, 549-568. [all data]

Dimov, Osman, et al., 1994
Dimov, N.; Osman, A.; Mekenyan, Ov.; Papazova, D., Selection of moelcular descriptors used in quantitative structure-gas chromatographic retention relationships. I. Application to alkylbenzenes and naphthalenes, Anal. Chim. Acta., 1994, 298, 3, 303-317, https://doi.org/10.1016/0003-2670(94)00280-0 . [all data]

van Langenhove and Schamp, 1986
van Langenhove, H.; Schamp, N., Identification of Volatiles in the Head Space of Acid-Treated Phosphate Rock by Gas Chromatography-Mass Spectromety, J. Chromatogr., 1986, 351, 65-75, https://doi.org/10.1016/S0021-9673(01)83473-7 . [all data]

Waggott and Davies, 1984
Waggott, A.; Davies, I.W., Identification of organic pollutants using linear temperature programmed retention indices (LTPRIs) - Part II, 1984, retrieved from http://dwi.defra.gov.uk/research/completed-research/reports/dwi0383.pdf. [all data]

Sutter, Peterson, et al., 1997
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]

Umano, Hagi, et al., 2000
Umano, K.; Hagi, Y.; Nakahara, K.; Shoji, A.; Shibamoto, T., Volatile chemicals identified in extracts from leaves of Japanese mugwort (Artemisia princeps Pamp.), J. Agric. Food Chem., 2000, 48, 8, 3463-3469, https://doi.org/10.1021/jf0001738 . [all data]

Hsieh, Williams, et al., 1989
Hsieh, T.C.Y.; Williams, S.S.; Vejaphan, W.; Meyers, S.P., Characterization of Volatile Components of Menhaden Fish (Brevoortia tyrannus) Oil, J. Amer. Oil Chem. Soc., 1989, 66, 1, 114-117, https://doi.org/10.1007/BF02661797 . [all data]

Polatoglu, Demirci, et al., 2010
Polatoglu, K.; Demirci, F.; Demirci, B.; Goren, N.; Baser, K.H.C., Antimicrobial activity and essential oil composition of a new T. argyrophyllum (C. Koch) Tvzel var. argyrophyllium chemotype, J. Oleo Sci., 2010, 59, 6, 307-313, https://doi.org/10.5650/jos.59.307 . [all data]

Vichi, Guadayol, et al., 2007
Vichi, S.; Guadayol, J.M.; Caixach, J.; López-Tamames, E.; Buxaderas, S., Analytical, Nutritional, and Clinical Methods. Comparative study of different extraction techniques for the analysis of virgin olive oil aroma, Food Chem., 2007, 105, 3, 1171-1178, https://doi.org/10.1016/j.foodchem.2007.02.018 . [all data]

Erdurak, Coskun, et al., 2006
Erdurak, C.S.; Coskun, M.; Demirci, B.; Baser, K.H.C., Composition of the essential oil of fruits and roots of Ferulago isaurica Pesmen and F. syriaca Boiss. (Umbelliferae) from Turkey, Flavour Fragr. J., 2006, 21, 1, 118-121, https://doi.org/10.1002/ffj.1540 . [all data]

Baser, Özek, et al., 2004
Baser, K.H.C.; Özek, T.; Kirimer, N.; Deliorman, D.; Ergun, F., Composition of the essential oils of Galium aparine L. and Galium odoratum (L.) Scop. from Turkey, J. Essent. Oil Res., 2004, 16, 4, 305-307, https://doi.org/10.1080/10412905.2004.9698728 . [all data]

Baser, Demirei, et al., 2002
Baser, K.H.C.; Demirei, B.; Özek, T.; Akalin, E.; Özhatay, N., Micro-distilled volatile compounds from Ferulago species growing in Western Turkey, Pharm. Biol., 2002, 40, 6, 466-471, https://doi.org/10.1076/phbi.40.6.466.8439 . [all data]

Gören, Demirci, et al., 2001
Gören, N.; Demirci, B.; Baser, K.H.C., Composition of the essential oils of Tanacetum spp. from Turkey, Flavour Fragr. J., 2001, 16, 3, 191-194, https://doi.org/10.1002/ffj.976 . [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]

Fuentes, Font, et al., 2007
Fuentes, M.J.; Font, R.; Gomez-Rico, M.F.; Martin-Gullon, I., Pyrolysis and combustion of waste lubricant oil from diesel cars: Decomposition and pollutants, J. Anal. Appl. Pyrolysis, 2007, 79, 1-2, 215-226, https://doi.org/10.1016/j.jaap.2006.12.004 . [all data]


Notes

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, References