Benzene, 1,2,4,5-tetrachloro-

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Gas phase thermochemistry data

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

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

Quantity Value Units Method Reference Comment
Δfgas-32.62kJ/molCcrPlatonov and Simulin, 1983 

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
Δfsolid-110.19kJ/molCcrPlatonov and Simulin, 1983ALS
Quantity Value Units Method Reference Comment
Δcsolid-2631.24kJ/molCcrPlatonov and Simulin, 1983ALS

Constant pressure heat capacity of solid

Cp,solid (J/mol*K) Temperature (K) Reference Comment
202.5299.8Andrews and Haworth, 1928T = 101 to 336 K. Value is unsmoothed experimental datum.; DH

Phase change data

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

Data compiled as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tboil516.2KN/AAldrich Chemical Company Inc., 1990BS
Quantity Value Units Method Reference Comment
Tfus412.2KN/AMiller, Ghodbane, et al., 1984Uncertainty assigned by TRC = 0.2 K; TRC
Tfus318.KN/AWhite, Biggs, et al., 1940Uncertainty assigned by TRC = 1.5 K; TRC
Quantity Value Units Method Reference Comment
Ttriple412.59KN/ASabbah and An, 1991Uncertainty assigned by TRC = 0.07 K; TRC
Quantity Value Units Method Reference Comment
Δvap60.7kJ/molGCSpieksma, Luijk, et al., 1994Based on data from 413. to 453. K.; AC
Quantity Value Units Method Reference Comment
Δsub83.2 ± 0.3kJ/molCSabbah and An, 1991AC

Enthalpy of vaporization

ΔvapH (kJ/mol) Temperature (K) Method Reference Comment
52.0434.AStephenson and Malanowski, 1987Based on data from 419. to 518. K. See also Stull, 1947.; AC

Antoine Equation Parameters

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

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Temperature (K) A B C Reference Comment
419. to 518.7.144144652.845133.655Stull, 1947Coefficents calculated by NIST from author's data.

Enthalpy of fusion

ΔfusH (kJ/mol) Temperature (K) Method Reference Comment
24.940412.59N/ASabbah and An, 1991DH
24.4410.1DSCRai, Pandey, et al., 2002AC
24.1412.2N/AAcree, 1991AC
24.9412.6DTASabbah and An, 1991AC

Entropy of fusion

ΔfusS (J/mol*K) Temperature (K) Reference Comment
60.4412.59Sabbah and An, 1991DH

Enthalpy of phase transition

ΔHtrs (kJ/mol) Temperature (K) Initial Phase Final Phase Reference Comment
0.095185.6crystaline, IIcrystaline, IMondieig, Cuevas-Kiarte, et al., 1989DH
26.340412.8crystaline, IliquidMondieig, Cuevas-Kiarte, et al., 1989DH
0.095185.6crystaline, IIcrystaline, IMondieig, Housty, et al., 1987α to β transition.; DH
26.340412.9crystaline, IliquidMondieig, Housty, et al., 1987DH
0.034187.5crystaline, IIcrystaline, IMartin, 1982DH

Entropy of phase transition

ΔStrs (J/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
0.18187.5crystaline, IIcrystaline, IMartin, 1982DH

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


Reaction thermochemistry data

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

Data compiled by: John E. Bartmess

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

C6HCl4- + Hydrogen cation = Benzene, 1,2,4,5-tetrachloro-

By formula: C6HCl4- + H+ = C6H2Cl4

Quantity Value Units Method Reference Comment
Δr1520. ± 8.8kJ/molG+TSSchlosser, Marzi, et al., 2001gas phase; Acid: 1,2,3,5-tetrachlorobenzene. Anion assigned based on ab initio calculations.
Quantity Value Units Method Reference Comment
Δr1487. ± 8.4kJ/molIMRESchlosser, Marzi, et al., 2001gas phase; Acid: 1,2,3,5-tetrachlorobenzene. Anion assigned based on ab initio calculations.

C6HCl4- + Hydrogen cation = Benzene, 1,2,4,5-tetrachloro-

By formula: C6HCl4- + H+ = C6H2Cl4

Quantity Value Units Method Reference Comment
Δr1514. ± 8.8kJ/molG+TSSchlosser, Marzi, et al., 2001gas phase; Acid: 1,2,4,5-tetrachlorobenzene.
Quantity Value Units Method Reference Comment
Δr1480. ± 8.4kJ/molIMRESchlosser, Marzi, et al., 2001gas phase; Acid: 1,2,4,5-tetrachlorobenzene.

Henry's Law data

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

Data compiled by: Rolf Sander

Henry's Law constant (water solution)

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

H (mol/(kg*bar)) d(ln(kH))/d(1/T) (K) Method Reference
0.39 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:
B - John E. Bartmess
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Quantity Value Units Method Reference Comment
IE (evaluated)9.0eVN/AN/AL

Electron affinity determinations

EA (eV) Method Reference Comment
0.44999ECDChen and Wentworth, 1981B

Ionization energy determinations

IE (eV) Method Reference Comment
8.9PERuscic, Klasinc, et al., 1981LLK
9.07PEKimura, Katsumata, et al., 1981LLK
9.15 ± 0.03PERuscic, Klasinc, et al., 1981Vertical value; LLK
9.20 ± 0.05PEDougherty and McGlynn, 1977Vertical value; LLK
9.06PEStreets and Ceasar, 1973Vertical value; LLK

De-protonation reactions

C6HCl4- + Hydrogen cation = Benzene, 1,2,4,5-tetrachloro-

By formula: C6HCl4- + H+ = C6H2Cl4

Quantity Value Units Method Reference Comment
Δr1520. ± 8.8kJ/molG+TSSchlosser, Marzi, et al., 2001gas phase; Acid: 1,2,3,5-tetrachlorobenzene. Anion assigned based on ab initio calculations.; B
Quantity Value Units Method Reference Comment
Δr1487. ± 8.4kJ/molIMRESchlosser, Marzi, et al., 2001gas phase; Acid: 1,2,3,5-tetrachlorobenzene. Anion assigned based on ab initio calculations.; B

C6HCl4- + Hydrogen cation = Benzene, 1,2,4,5-tetrachloro-

By formula: C6HCl4- + H+ = C6H2Cl4

Quantity Value Units Method Reference Comment
Δr1514. ± 8.8kJ/molG+TSSchlosser, Marzi, et al., 2001gas phase; Acid: 1,2,4,5-tetrachlorobenzene.; B
Quantity Value Units Method Reference Comment
Δr1480. ± 8.4kJ/molIMRESchlosser, Marzi, et al., 2001gas phase; Acid: 1,2,4,5-tetrachlorobenzene.; B

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, Reaction thermochemistry 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

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Mass spectrum
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Additional Data

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Due to licensing restrictions, this spectrum cannot be downloaded.

Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin Japan AIST/NIMC Database- Spectrum MS-NW-1386
NIST MS number 228135

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

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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: Victor Talrose, Alexander N. Yermakov, Alexy A. Usov, Antonina A. Goncharova, Axlexander N. Leskin, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina

Spectrum

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UVVis spectrum
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Additional Data

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Source Jondorf and Williams, 1958
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. 5834
Instrument Unicam Spectrophotometer
Melting point 139.5
Boiling point 244.5

Gas Chromatography

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

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

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

Kovats' RI, non-polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillarySE-30160.1347.0Santiuste, Harangi, et al., 2003 
CapillaryHP-5120.1346.9Santiuste, Harangi, et al., 2003 
CapillaryHP-5120.1342.6Santiuste J.M. and Takacs J.M., 200360. m/0.25 mm/0.25 μm, N2
CapillaryHP-5140.1357.2Santiuste J.M. and Takacs J.M., 200360. m/0.25 mm/0.25 μm, N2
CapillarySPB-1140.1328.Vezzani, Bertocchi, et al., 199830. m/0.32 mm/0.25 μm
CapillaryDB-5110.1332.55Gerbino, Garbarino, et al., 199630. m/0.53 mm/1.5 μm, N2
CapillaryDB-570.1301.13Gerbino, Garbarino, et al., 199630. m/0.53 mm/1.5 μm, N2
CapillaryDB-590.1316.28Gerbino, Garbarino, et al., 199630. m/0.53 mm/1.5 μm, N2
CapillarySE-30160.1326.Evans and Haken, 1989Column length: 25. m; Column diameter: 0.32 mm
CapillarySE-30160.1344.Tarjan, Nyiredy, et al., 1989 
CapillarySE-30120.1326.Haken and Korhonene, 1983N2; Column length: 25. m; Column diameter: 0.22 mm
CapillarySE-30140.1329.Haken and Korhonene, 1983N2; Column length: 25. m; Column diameter: 0.22 mm
CapillarySE-30160.1344.Haken and Korhonene, 1983N2; Column length: 25. m; Column diameter: 0.22 mm
PackedOV-101100.1303.West and Hall, 1975Gas Chrom Q; Column length: 2. m

Kovats' RI, polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillaryZB-Wax120.1801.8Pérez-Parajón, Santiuste, et al., 200460. m/0.25 mm/0.25 μm
CapillaryZB-Wax140.1815.4Pérez-Parajón, Santiuste, et al., 200460. m/0.25 mm/0.25 μm
CapillaryZB-Wax160.1842.5Pérez-Parajón, Santiuste, et al., 200460. m/0.25 mm/0.25 μm
CapillaryCarbowax 20M160.1764.Evans and Haken, 1989Column length: 22. m; Column diameter: 0.3 mm
CapillaryCarbowax 20M140.1764.Haken and Korhonene, 1983N2; Column length: 22. m; Column diameter: 0.3 mm
CapillaryCarbowax 20M160.1793.Haken and Korhonene, 1983N2; Column length: 22. m; Column diameter: 0.3 mm
CapillaryCarbowax 20M180.1830.Haken and Korhonene, 1983N2; Column length: 22. m; Column diameter: 0.3 mm

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

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-51305.76Gerbino, Garbarino, et al., 199630. m/0.53 mm/1.5 μm, N2, 2. K/min; Tstart: 50. C
CapillaryDB-51314.51Gerbino, Garbarino, et al., 199630. m/0.53 mm/1.5 μm, N2, 2. K/min; Tstart: 50. C
CapillaryDB-51322.49Gerbino, Garbarino, et al., 199630. m/0.53 mm/1.5 μm, N2, 2. K/min; Tstart: 50. C
CapillaryDB-11318.Gerbino and Castello, 199530. m/0.235 mm/0.25 μm, N2, 100. C @ 0. min, 10. K/min
CapillaryDB-11311.Gerbino and Castello, 199530. m/0.235 mm/0.25 μm, N2, 100. C @ 0. min, 5. K/min
CapillaryDB-11306.Gerbino and Castello, 199530. m/0.235 mm/0.25 μm, N2, 50. C @ 0. min, 10. K/min
CapillaryDB-11306.Gerbino and Castello, 199530. m/0.235 mm/0.25 μm, N2, 50. C @ 0. min, 5. K/min

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

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Column type Active phase I Reference Comment
PackedSE-301303.Peng, Ding, et al., 1988Supelcoport; Chromosorb; Column length: 3.05 m; Program: 40C(5min) => 10C/min => 200C or 250C (60min)

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

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Column type Active phase I Reference Comment
CapillaryDB-Wax1806.94Gerbino and Castello, 199530. m/0.235 mm/0.5 μm, N2, 10. K/min; Tstart: 100. C
CapillaryDB-Wax1808.90Gerbino and Castello, 199530. m/0.235 mm/0.5 μm, N2, 5. K/min; Tstart: 100. C
CapillaryDB-Wax1808.23Gerbino and Castello, 199530. m/0.235 mm/0.5 μm, N2, 10. K/min; Tstart: 50. C
CapillaryDB-Wax1792.86Gerbino and Castello, 199530. m/0.235 mm/0.5 μm, N2, 5. K/min; Tstart: 50. C

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryHP-51321.Zenkevich, Moeder, et al., 200430. m/0.25 mm/0.25 μm, Helium, 50. C @ 3. min, 3. K/min, 280. C @ 20. min
CapillaryUltra-11294.Okumura, 199125. m/0.32 mm/0.25 μm, He, 3. K/min; Tstart: 80. C; Tend: 260. C

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

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Column type Active phase I Reference Comment
CapillaryMethyl Silicone1326.Yu and Zazhi, 2005Program: not specified
CapillaryCP Sil 21348.Fuhrer, Deissler, et al., 199755. m/0.25 mm/0.25 μm, N2; Program: 40C(3min) => 20C/min => 80C => 2C/min => 240C(45min)
CapillaryPTE-51357.Nakano, Fujimori, et al., 199225. m/0.20 mm/0.33 μm; Program: 50 0C (2 min) 30 0C/min -> 200 0C 8 0C/min -> 280 0C (10 min)
CapillaryUltra-21369.Nakano, Fujimori, et al., 199225. m/0.20 mm/0.33 μm; Program: 50 0C (2 min) 30 0C/min -> 200 0C 8 0C/min -> 280 0C (10 min)

Lee's RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryHP5-MS229.Vrana, Paschke, et al., 200530. m/0.25 mm/0.25 μm, Helium, 50. C @ 5. min, 5. K/min, 280. C @ 10. min
CapillaryDB-5MS227.13Chen, Keeran, et al., 200230. m/0.25 mm/0.5 μm, 40. C @ 1. min, 10. K/min; Tend: 310. C
CapillaryDB-5MS227.19Chen, Keeran, et al., 200230. m/0.25 mm/0.5 μm, 40. C @ 1. min, 4. K/min; Tend: 310. C
CapillaryDB-5228.3Viau, Studak, et al., 1984Helium, 4. K/min; Column length: 30. m; Column diameter: 0.32 mm; Tstart: 90. C; Tend: 250. C

References

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

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

Platonov and Simulin, 1983
Platonov, V.A.; Simulin, Yu.N., Standard enthalpies of formation of 1,2,3-trichlorobenzene, 1,2,4,5-tetrachlorobenzene, and hexachlorobenzene, Russ. J. Phys. Chem. (Engl. Transl.), 1983, 57, 840-842. [all data]

Andrews and Haworth, 1928
Andrews, D.H.; Haworth, E., An application of the rule of Dulong and Petit to molecules, J. Am. Chem. Soc., 1928, 50, 2998-3002. [all data]

Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc., Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]

Miller, Ghodbane, et al., 1984
Miller, M.M.; Ghodbane, S.; Wasik, S.P.; Tewari, Y.B.; Martire, D.E., Aqueous Solubilities, Octanol/Water Partition Coefficients, and Entropies of Melting of Chlorinated Benzenes and Biphenyls, J. Chem. Eng. Data, 1984, 29, 184-190. [all data]

White, Biggs, et al., 1940
White, A.H.; Biggs, B.S.; Morgan, S.O., Dielectric Evidence for Molecular Rotation in the Crystals of Certain Benzene Derivatives, J. Am. Chem. Soc., 1940, 62, 16-25. [all data]

Sabbah and An, 1991
Sabbah, R.; An, X.W., Etude thermodynamique des chlorobenzenes, Thermochim. Acta, 1991, 179, 81-88. [all data]

Spieksma, Luijk, et al., 1994
Spieksma, Walter; Luijk, Ronald; Govers, Harrie A.J., Determination of the liquid vapour pressure of low-volatility compounds from the Kováts retention index, Journal of Chromatography A, 1994, 672, 1-2, 141-148, https://doi.org/10.1016/0021-9673(94)80602-0 . [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]

Stull, 1947
Stull, Daniel R., Vapor Pressure of Pure Substances. Organic and Inorganic Compounds, Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022 . [all data]

Rai, Pandey, et al., 2002
Rai, U.S.; Pandey, Pinky; Rai, R.N., Physical chemistry of binary organic eutectic and monotectic alloys; 1,2,4,5-tetrachlorobenzene--α-naphthol and TCB--resorcinol systems, Materials Letters, 2002, 53, 1-2, 83-90, https://doi.org/10.1016/S0167-577X(01)00458-X . [all data]

Acree, 1991
Acree, William E., Thermodynamic properties of organic compounds: enthalpy of fusion and melting point temperature compilation, Thermochimica Acta, 1991, 189, 1, 37-56, https://doi.org/10.1016/0040-6031(91)87098-H . [all data]

Mondieig, Cuevas-Kiarte, et al., 1989
Mondieig, D.; Cuevas-Kiarte, M.A.; Haget, Y., Polymorphisme du tetrachloro-1,2,4,5-benzene et du tetrabromo-1,2,4,5-benzene, J. Therm. Anal., 1989, 35(7), 2491-2500. [all data]

Mondieig, Housty, et al., 1987
Mondieig, D.; Housty, J.R.; Haget, Y., The Guinier-Lenne method in DSC. Polymorphysm of tetrasubstituted derivatives of benzene and their mixtures, Calorim. Anal. Therm., 1987, 18, 269-275. [all data]

Martin, 1982
Martin, C.A., Specific heat anomalies in some organic compounds, Therm. Anal., Proc. Int. Conf., 7th, 1982, 2, 829-835. [all data]

Schlosser, Marzi, et al., 2001
Schlosser, M.; Marzi, E.; Cottet, F.; Buker, H.H.; Nibbering, N.M.M., The acidity of chloro-substituted benzenes: A comparison of gas phase, ab initio, and kinetic data, Chem. Eur. J., 2001, 7, 16, 3511-3516, https://doi.org/10.1002/1521-3765(20010817)7:16<3511::AID-CHEM3511>3.0.CO;2-U . [all data]

Chen and Wentworth, 1981
Chen, E.C.M.; Wentworth, W.E., Correlation and Prediction of Electron Capture Response from Molecular Parameters, J. Chromatogr., 1981, 217, 151, https://doi.org/10.1016/S0021-9673(00)88069-3 . [all data]

Ruscic, Klasinc, et al., 1981
Ruscic, B.; Klasinc, L.; Wolf, A.; Knop, J.V., Photoelectron spectra of and Ab initio calculations on chlorobenzenes. 2. Trichlorobenzenes, tetrachlorobenzenes, and pentachlorobenzene, J. Phys. Chem., 1981, 85, 1490. [all data]

Kimura, Katsumata, et al., 1981
Kimura, K.; Katsumata, S.; Achiba, Y.; Yamazaki, T.; Iwata, S., Ionization energies, Ab initio assignments, and valence electronic structure for 200 molecules in Handbook of HeI Photoelectron Spectra of Fundamental Organic Compounds, Japan Scientific Soc. Press, Tokyo, 1981. [all data]

Dougherty and McGlynn, 1977
Dougherty, D.; McGlynn, S.P., Photoelectron spectroscopy of carbonyls. 1,4-Benzoquinones, J. Am. Chem. Soc., 1977, 99, 3234. [all data]

Streets and Ceasar, 1973
Streets, D.G.; Ceasar, G.P., Inductive mesomeric effects on the π orbitals of halobenzenes, Mol. Phys., 1973, 26, 1037. [all data]

Jondorf and Williams, 1958
Jondorf, W.R.; Williams, R.T., Biochem. J., 1958, 69, 181. [all data]

Santiuste, Harangi, et al., 2003
Santiuste, J.M.; Harangi, J.; Takács, J.M., Mosaic increments for predicting the gas chromatographic retention data of the chlorobenzenes, J. Chromatogr. A, 2003, 1002, 1-2, 155-168, https://doi.org/10.1016/S0021-9673(03)00736-2 . [all data]

Santiuste J.M. and Takacs J.M., 2003
Santiuste J.M.; Takacs J.M., Relationships between retention data of benzene and chlorobenzenes with their physico-chemical properties and topological indices, Chromatographia, 2003, 58, 87-96. [all data]

Vezzani, Bertocchi, et al., 1998
Vezzani, S.; Bertocchi, A.; Moretti, P.; Castello, G., Prediction of the gas chromatographic retention values of chlorobenzenes on different station phases by using structure-retention correlations, J. Chromatogr. A, 1998, 803, 1-2, 211-218, https://doi.org/10.1016/S0021-9673(97)01281-8 . [all data]

Gerbino, Garbarino, et al., 1996
Gerbino, T.C.; Garbarino, G.; Petit-Bon, P., Programmed temperature retention indices: calculation of linear programmed temperature retention indices of halogenated benzenes from isothermal data, Ann. Chim. (Rome), 1996, 86, 63-75. [all data]

Evans and Haken, 1989
Evans, M.B.; Haken, J.K., Dispersion and selectivity indices in gas chromatography. IV. Chlorinated aromatic compounds, J. Chromatogr., 1989, 468, 373-382, https://doi.org/10.1016/S0021-9673(00)96332-5 . [all data]

Tarjan, Nyiredy, et al., 1989
Tarjan, G.; Nyiredy, Sz.; Gyor, M.; Lombosi, E.R.; Lombosi, T.S.; Budahegyi, M.V.; Meszaros, S.Y.; Takacs, J.M., Review. Thirtieth Anniversary of the Retention Index According to Kovats in Gas-Liquid Chromatography, J. Chromatogr., 1989, 472, 1-92, https://doi.org/10.1016/S0021-9673(00)94099-8 . [all data]

Haken and Korhonene, 1983
Haken, J.K.; Korhonene, I.O.O., Retention increments of isomeric chlorobenzenes, J. Chromatogr., 1983, 265, 323-327, https://doi.org/10.1016/S0021-9673(01)96727-5 . [all data]

West and Hall, 1975
West, S.D.; Hall, R.C., Substituent contributions to the Kováts retention indices of benzene derivatives, J. Chromatogr. Sci., 1975, 13, 5-11. [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]

Gerbino and Castello, 1995
Gerbino, T.C.; Castello, G., Prediction of programmed temperature retention indices on capillary columns of different polarities, J. Chromatogr. A, 1995, 699, 1-2, 161-171, https://doi.org/10.1016/0021-9673(95)00024-H . [all data]

Peng, Ding, et al., 1988
Peng, C.T.; Ding, S.F.; Hua, R.L.; Yang, Z.C., Prediction of Retention Indexes I. Structure-Retention Index Relationship on Apolar Columns, J. Chromatogr., 1988, 436, 137-172, https://doi.org/10.1016/S0021-9673(00)94575-8 . [all data]

Zenkevich, Moeder, et al., 2004
Zenkevich, I.G.; Moeder, M.; Koeller, G.; Schrader, S., Using new structurally related additive schemes in the precalculation of gas chromatographic retention indices of polychlorinated hydroxybiphenyls on HP-5 stationary phase, J. Chromatogr. A, 2004, 1025, 2, 227-236, https://doi.org/10.1016/j.chroma.2003.10.106 . [all data]

Okumura, 1991
Okumura, T., retention indices of environmental chemicals on methyl silicone capillary column, Journal of Environmental Chemistry (Japan), 1991, 1, 2, 333-358, https://doi.org/10.5985/jec.1.333 . [all data]

Yu and Zazhi, 2005
Yu, H.; Zazhi, J., Relationship between chromatogram retention index and toxicity of chlorinated phenols and chlorinated benzenes to Guppy, J. Enviropn. Health (Chinese), 2005, 22, 6, 441-444. [all data]

Fuhrer, Deissler, et al., 1997
Fuhrer, U.; Deissler, A.; Schreitmuller, J.; Ballschmiter, K., Analysis of Halogenated Methoxybenzenes and Hexachlorobenzene (HCB) in the Picogram m-3 Range in Marine Air, Chromatographia, 1997, 45, 1, 414-427, https://doi.org/10.1007/BF02505594 . [all data]

Nakano, Fujimori, et al., 1992
Nakano, T.; Fujimori, K.; Takaishi, Y.; Okuno, T., GC/MS-SIM analysis of polychlorobenzenes, polychlorophenols and polychloronaphthalenes, Report of the Environmental Science Institute of Hyogo Prefecture, 1992, 24, 30-37. [all data]

Vrana, Paschke, et al., 2005
Vrana, B.; Paschke, H.; Paschke, A.; Popp, P.; Schuurmann, G., Performance of semipermeable membrane devices for sampling of organic contaminants in groun water, J. Envirom. Monit., 2005, 7, 5, 500-508, https://doi.org/10.1039/b411645c . [all data]

Chen, Keeran, et al., 2002
Chen, P.H.; Keeran, W.S.; Van Ausdale, W.A.; Schindler, D.R.; Roberts, D.W., Application of Lee retention indices to the confirmation of tentatively identified compounds from GC/MS analysis of environmental samples, Technical paper, Analytical Services Division, Environmental ScienceEngineering, Inc, PO Box 1703, Gainesville, FL 32602, 2002, 11. [all data]

Viau, Studak, et al., 1984
Viau, A.C.; Studak, S.M.; Karasek, F.W., Comparative analysis of hazardous compounds on flu-ash from municipal waste incineration by gas chromatography / mass spectrometry, Can. J. Chem., 1984, 62, 11, 2140-2145, https://doi.org/10.1139/v84-366 . [all data]


Notes

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