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Benzene, 1,4-dichloro-

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Gas phase thermochemistry data

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

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

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

Quantity Value Units Method Reference Comment
Deltafgas5.88kcal/molCcrPlatonov and Simulin, 1984 

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
Deltacliquid-702. ± 1.kcal/molCcbSmith, Bjellerup, et al., 1953ALS
Quantity Value Units Method Reference Comment
Deltafsolid-10.12 ± 0.25kcal/molCcbHubbard, Knowlton, et al., 1954ALS
Quantity Value Units Method Reference Comment
Deltacsolid-702.65kcal/molCcrPlatonov and Simulin, 1984ALS
Deltacsolid-701.27 ± 0.25kcal/molCcbHubbard, Knowlton, et al., 1954ALS
Quantity Value Units Method Reference Comment
solid,1 bar41.924cal/mol*KN/ADworkin, Figuiere, et al., 1976crystaline, II phase; DH

Constant pressure heat capacity of solid

Cp,solid (cal/mol*K) Temperature (K) Reference Comment
23.180.Martin and Monti, 1988T = 30 to 180 K. Data given graphically, and estimated from graph.; DH
35.315298.15Dworkin, Figuiere, et al., 1976crystaline, II phase; T = 20 to 330 K.; DH
34.11298.15Ueberreiter and Orthmann, 1950T = 293 to 368 K. Equation only.; DH
41.11299.8Andrews and Haworth, 1928T = 101 to 336 K. Value is unsmoothed experimental datum.; DH
35.28298.Narbutt, 1918T = 194 to 372 K. Average specific heat over the temperature range 2.6 to 51.6 °C is 0.2400 cal/g*K.; DH

Phase change data

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

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

Quantity Value Units Method Reference Comment
Tboil447.3 ± 0.6KAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus326.1 ± 0.8KAVGN/AAverage of 26 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple326.150KN/ADworkin, Figuiere, et al., 1976, 2Crystal phase 1 phase; Uncertainty assigned by TRC = 0.01 K; TRC
Quantity Value Units Method Reference Comment
Deltavap13.1kcal/molGCSpieksma, Luijk, et al., 1994Based on data from 413. - 453. K.; AC
Deltavap11.4kcal/molN/ABoublik, Fried, et al., 1984Based on data from 370. - 450. K. See also Basarová and Svoboda, 1991.; AC
Quantity Value Units Method Reference Comment
Deltasub15.48 ± 0.036kcal/molDMOonk, van Genderen, et al., 2000AC
Deltasub15.6 ± 0.48kcal/molCAn and Zheng, 1989AC

Enthalpy of vaporization

DeltavapH (kcal/mol) Temperature (K) Method Reference Comment
11.1326.N/ARohác, Ruzicka, et al., 1999AC
10.6373.EBRohác, Ruzicka, et al., 1998Based on data from 358. - 448. K.; AC
10.8356.AStephenson and Malanowski, 1987Based on data from 341. - 448. K.; AC

Antoine Equation Parameters

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

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Temperature (K) A B C Reference
341.12 - 447.214.1171575.11-64.637McDonald, Shrader, et al., 1959

Enthalpy of sublimation

DeltasubH (kcal/mol) Temperature (K) Method Reference Comment
12.7258. - 313.N/ALiu and Dickhut, 1994AC
15.6313.GSShaub, 1985Based on data from 303. - 423. K.; AC
15.5 ± 0.1303.VWalsh and Smith, 1961ALS
15.5 ± 0.2303.N/AWalsh and Smith, 1961, 2Based on data from 293. - 311. K. See also Cox and Pilcher, 1970.; AC
15. ± 0.1318.N/AWalsh and Smith, 1961, 2Based on data from 311. - 325. K.; AC
13.6275.MEDarkis, Vermillion, et al., 1940Based on data from 248. - 303. K. See also Jones, 1960.; AC

Enthalpy of fusion

DeltafusH (kcal/mol) Temperature (K) Method Reference Comment
4.348326.2DSCWei and Jin, 2009See also Wei, 2008.; AC
4.281326.2ACvan der Linde, van Miltenburg, et al., 2005Based on data from 5. - 380. K.; AC
4.340326.N/AAcree, 1991AC
4.3141326.15N/ABooss and Hauschildt, 1972DH
4.3403326.N/AUeberreiter and Orthmann, 1950DH
4.3365326.05N/ANarbutt, 1918DH

Entropy of fusion

DeltafusS (cal/mol*K) Temperature (K) Reference Comment
13.2326.15Booss and Hauschildt, 1972DH
13.3326.Ueberreiter and Orthmann, 1950DH
13.3326.05Narbutt, 1918DH

Enthalpy of phase transition

DeltaHtrs (kcal/mol) Temperature (K) Initial Phase Final Phase Reference Comment
0.0478304.0crystaline, IIcrystaline, IPetropavlov, Tsygankova, et al., 1988DH
0.3002271.77crystaline, IIIcrystaline, IIDworkin, Figuiere, et al., 1976DH
0.05127304.35crystaline, IIcrystaline, IDworkin, Figuiere, et al., 1976DH
4.3468326.14crystaline, IliquidDworkin, Figuiere, et al., 1976DH
0.3002271.77crystaline, IIIcrystaline, IIDworkin, Figuiere, et al., 1975DH
0.05127304.35crystaline, IIcrystaline, IDworkin, Figuiere, et al., 1975DH
4.3468326.14crystaline, IliquidDworkin, Figuiere, et al., 1975DH

Entropy of phase transition

DeltaStrs (cal/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
0.1304.0crystaline, IIcrystaline, IPetropavlov, Tsygankova, et al., 1988DH
1.10271.77crystaline, IIIcrystaline, IIDworkin, Figuiere, et al., 1976DH
0.168304.35crystaline, IIcrystaline, IDworkin, Figuiere, et al., 1976DH
13.33326.14crystaline, IliquidDworkin, Figuiere, et al., 1976DH
1.10271.77crystaline, IIIcrystaline, IIDworkin, Figuiere, et al., 1975DH
0.168304.35crystaline, IIcrystaline, IDworkin, Figuiere, et al., 1975DH
13.33326.14crystaline, IliquidDworkin, Figuiere, et al., 1975DH

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

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Henry's Law data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, NIST Free Links, References, Notes

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

Data compiled as indicated in comments:
B - John E. Bartmess
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

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

Individual Reactions

C6H3Cl2- + Hydrogen cation = Benzene, 1,4-dichloro-

By formula: C6H3Cl2- + H+ = C6H4Cl2

Quantity Value Units Method Reference Comment
Deltar377.0 ± 2.1kcal/molG+TSSchlosser, Marzi, et al., 2001gas phase; Acid: p-dichlorobenzene.; B
Quantity Value Units Method Reference Comment
Deltar368.8 ± 2.0kcal/molIMRESchlosser, Marzi, et al., 2001gas phase; Acid: p-dichlorobenzene.; B

Benzene, 1,4-dichloro- = Benzene, 1,3-dichloro-

By formula: C6H4Cl2 = C6H4Cl2

Quantity Value Units Method Reference Comment
Deltar0.96kcal/molEqkGodnev and Sverdlin, 1961gas phase; Correction of 56GOD/SVE; ALS

Benzene, 1,4-dichloro- = Benzene, 1,2-dichloro-

By formula: C6H4Cl2 = C6H4Cl2

Quantity Value Units Method Reference Comment
Deltar2.104kcal/molEqkGodnev and Sverdlin, 1961gas phase; Correction of 56GOD/SVE; ALS

Henry's Law data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, NIST Free Links, References, Notes

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

Data compiled by: 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
0.23 QN/A missing citation give several references for the Henry's law constants but don't assign them to specific species.
0.312700.XN/A 
0.312700.XN/A 
0.382700.XN/A 
0.63 LN/A 
0.42 MN/A 
0.22 VN/A 

Gas phase ion energetics data

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

Data evaluated as indicated in comments:
L - Sharon G. Lias

Data compiled as indicated in comments:
B - John E. Bartmess
LL - Sharon G. Lias and Joel F. Liebman
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Quantity Value Units Method Reference Comment
IE (evaluated)8.92 ± 0.03eVN/AN/AL
Quantity Value Units Method Reference Comment
Deltaf(+) ion211.1kcal/molN/AN/A 
Quantity Value Units Method Reference Comment
DeltafH(+) ion,0K214.1kcal/molN/AN/A 

Ionization energy determinations

IE (eV) Method Reference Comment
8.95PEFujisawa, Oonishi, et al., 1991LL
8.92 ± 0.02PIPECOOlesik, Baer, et al., 1986LBLHLM
8.97 ± 0.03PERuscic, Klasinc, et al., 1981LLK
8.94PEKimura, Katsumata, et al., 1981LLK
8.98 ± 0.02PEMaier and Marthaler, 1978LLK
8.89 ± 0.01EQLias and Ausloos, 1978LLK
8.94 ± 0.01PIWatanabe, Nakayama, et al., 1962RDSH
8.95PIBralsford, Harris, et al., 1960RDSH
8.988PEPotts, Lyus, et al., 1980Vertical value; LLK
9.00PEStreets and Ceasar, 1973Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C6H4Cl+13.2 ± 0.1ClEIBrown, 1970RDSH

De-protonation reactions

C6H3Cl2- + Hydrogen cation = Benzene, 1,4-dichloro-

By formula: C6H3Cl2- + H+ = C6H4Cl2

Quantity Value Units Method Reference Comment
Deltar377.0 ± 2.1kcal/molG+TSSchlosser, Marzi, et al., 2001gas phase; Acid: p-dichlorobenzene.; B
Quantity Value Units Method Reference Comment
Deltar368.8 ± 2.0kcal/molIMRESchlosser, Marzi, et al., 2001gas phase; Acid: p-dichlorobenzene.; 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)

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

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

Spectrum

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Additional Data

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Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin Chuck Anderson, Aldrich Chemical Co.
NIST MS number 107698

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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), NIST Free Links, References, Notes

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

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

Kovats' RI, non-polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillaryDB-5100.1023.15Harangi, 200360. m/0.32 mm/1. «mu»m, He
CapillaryDB-5100.1023.18Harangi, 200360. m/0.32 mm/1. «mu»m, He
CapillaryDB-5120.1032.51Harangi, 200360. m/0.32 mm/1. «mu»m, He
CapillaryDB-5120.1032.76Harangi, 200360. m/0.32 mm/1. «mu»m, He
CapillarySE-30160.1016.0Santiuste, Harangi, et al., 2003 
CapillaryHP-5120.1037.4Santiuste, Harangi, et al., 2003 
CapillaryHP-5120.1037.4Santiuste J.M. and Takacs J.M., 200360. m/0.25 mm/0.25 «mu»m, N2
CapillaryHP-5140.1046.Santiuste J.M. and Takacs J.M., 200360. m/0.25 mm/0.25 «mu»m, N2
CapillarySPB-1140.1012.Vezzani, Bertocchi, et al., 199830. m/0.32 mm/0.25 «mu»m
CapillarySE-300.993.Spieksma, Luijk, et al., 1994 
CapillarySE-30160.970.Evans and Haken, 1989Column length: 25. m; Column diameter: 0.32 mm
CapillarySE-30160.1016.Tarjan, Nyiredy, et al., 1989 
CapillarySE-30120.970.Haken and Korhonene, 1983N2; Column length: 25. m; Column diameter: 0.22 mm
CapillarySE-30140.1015.Haken and Korhonene, 1983N2; Column length: 25. m; Column diameter: 0.22 mm
CapillarySE-30160.1016.Haken and Korhonene, 1983N2; Column length: 25. m; Column diameter: 0.22 mm

Kovats' RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryDB-51016.Ramarathnam, Rubin, et al., 1993He, 30. C @ 2. min, 10. K/min, 280. C @ 3. min; Column length: 30. m; Column diameter: 0.13 mm

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

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Column type Active phase I Reference Comment
PackedSE-301000.Ramsey, Lee, et al., 1980He, Chromosorb G HP (80-100 mesh); Column length: 1.5 m; Program: not specified

Kovats' RI, polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillaryZB-Wax120.1483.2Pérez-Parajón, Santiuste, et al., 200460. m/0.25 mm/0.25 «mu»m
CapillaryCarbowax 20M160.1438.Evans and Haken, 1989Column length: 22. m; Column diameter: 0.3 mm
CapillaryCarbowax 20M140.1438.Haken and Korhonene, 1983N2; Column length: 22. m; Column diameter: 0.3 mm
CapillaryCarbowax 20M160.1471.Haken and Korhonene, 1983N2; Column length: 22. m; Column diameter: 0.3 mm

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

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Column type Active phase I Reference Comment
CapillaryDB-51021.24Harangi, 200360. m/0.32 mm/1. «mu»m, He, 60. C @ 2.8 min, 3. K/min; Tend: 180. C
CapillaryDB-51021.56Harangi, 200360. m/0.32 mm/1. «mu»m, He, 60. C @ 2.8 min, 3. K/min; Tend: 180. C
CapillaryDB-51024.00Harangi, 200360. m/0.32 mm/1. «mu»m, He, 60. C @ 2.8 min, 4. K/min; Tend: 180. C
CapillaryDB-51025.03Harangi, 200360. m/0.32 mm/1. «mu»m, He, 60. C @ 2.8 min, 4. K/min; Tend: 180. C
CapillaryDB-51014.9Xu, van Stee, et al., 200330. m/0.25 mm/1. «mu»m, He, 2.5 K/min; Tstart: 50. C; Tend: 200. C
CapillaryUltra-1991.21Richmond and Pombo-Villar, 199725. m/0.32 mm/0.52 «mu»m, 15. K/min, 320. C @ 10. min; Tstart: 35. C
CapillaryOV-1990.6Gautzsch and Zinn, 19968. K/min; Tstart: 35. C; Tend: 300. C
CapillaryDB-1989.5Helmig, Pollock, et al., 199630. m/0.25 mm/1. «mu»m, 6. K/min; Tstart: -50. C; Tend: 180. C
CapillaryDB-11014.Gerbino and Castello, 199530. m/0.235 mm/0.25 «mu»m, N2, 100. C @ 0. min, 10. K/min
CapillaryDB-11009.Gerbino and Castello, 199530. m/0.235 mm/0.25 «mu»m, N2, 100. C @ 0. min, 5. K/min
CapillaryDB-1996.Gerbino and Castello, 199530. m/0.235 mm/0.25 «mu»m, N2, 50. C @ 0. min, 10. K/min
CapillaryDB-1991.Gerbino and Castello, 199530. m/0.235 mm/0.25 «mu»m, N2, 50. C @ 0. min, 5. K/min
CapillaryPetrocol DH987.White, Hackett, et al., 1992100. m/0.25 mm/0.5 «mu»m, He, 1. K/min; Tstart: 30. C; Tend: 220. C

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

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Column type Active phase I Reference Comment
Capillary5 % Phenyl methyl siloxane1009.Yasuhara, Shiraishi, et al., 199725. m/0.31 mm/0.52 «mu»m, He; Program: 50C(2min) => (20C/min) => 120C => (7C/min) => 310C(10min)
PackedSE-301024.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
CapillaryCP-Wax 52CB1438.Alasalvar, Taylor, et al., 200560. m/0.25 mm/0.25 «mu»m, 35. C @ 4. min, 3. K/min; Tend: 203. C
CapillarySupelcowax-101449.Chung, Yung, et al., 200260. m/0.25 mm/0.25 «mu»m, He, 35. C @ 5. min, 2. K/min, 195. C @ 90. min
CapillarySupelcowax-101449.Chung, Yung, et al., 200160. m/0.25 mm/0.25 «mu»m, He, 35. C @ 5. min, 2. K/min, 195. C @ 90. min
CapillarySupelcowax-101450.Chung, 199960. m/0.25 mm/0.25 «mu»m, He, 35. C @ 5. min, 2. K/min, 195. C @ 90. min
CapillaryDB-Wax1446.09Gerbino and Castello, 199530. m/0.235 mm/0.5 «mu»m, N2, 5. K/min; Tstart: 50. C
CapillaryDB-Wax1450.Shiratsuchi, Shimoda, et al., 199460. m/0.25 mm/0.25 «mu»m, He, 2. K/min, 230. C @ 60. min; Tstart: 50. C
CapillaryDB-Wax1446.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-101453.Matiella and Hsieh, 199060. m/0.25 mm/0.25 «mu»m, 40. C @ 5. min, 2. K/min, 175. C @ 20. min

Normal alkane RI, non-polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillaryE-301100.1010.Bermejo, Moinelo, et al., 1980N2; Column length: 50. m; Column diameter: 0.25 mm
CapillarySqualane100.998.Bermejo, Moinelo, et al., 1980N2; Column length: 50. m; Column diameter: 0.25 mm

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryHP-51013.Zenkevich, Moeder, et al., 200430. m/0.25 mm/0.25 «mu»m, Helium, 50. C @ 3. min, 3. K/min, 280. C @ 20. min
CapillaryBP-11004.Health Safety Executive, 200050. m/0.22 mm/0.75 «mu»m, He, 5. K/min; Tstart: 50. C; Tend: 200. C
CapillaryBP-11004.Health Safety Executive, 200050. m/0.22 mm/0.75 «mu»m, He, 5. K/min; Tstart: 50. C; Tend: 200. C
CapillaryOV-101960.Messadi and Ali-Mokhnache, 19932. K/min; Column length: 25. m; Column diameter: 0.20 mm; Tstart: 80. C
CapillaryOV-101970.Messadi and Ali-Mokhnache, 19932. K/min; Column length: 25. m; Column diameter: 0.20 mm; Tstart: 80. C
CapillaryOV-101974.Messadi and Ali-Mokhnache, 19932. K/min; Column length: 25. m; Column diameter: 0.20 mm; Tstart: 80. C
CapillarySE-541008.Harland, Cumming, et al., 1986He, 50. C @ 2. min, 8. K/min, 250. C @ 12. min; Column length: 25. m; Column diameter: 0.32 mm

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

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Column type Active phase I Reference Comment
CapillaryPolydimethyl siloxane with 5 % Ph groups1015.Robinson, Adams, et al., 2012Program: not specified
CapillaryPolydimethyl siloxane with 5 % Ph groups1024.Robinson, Adams, et al., 2012Program: not specified
CapillaryPolydimethyl siloxane, 5 % phenyl1007.Skogerson, Wohlgemuth, et al., 2011Program: not specified
CapillaryRTX-5 MS1014.Mebazaa, Mahmoudi, et al., 200930. m/0.25 mm/0.25 «mu»m, Helium; Program: 50 0C (5 min) 2 0C/min -> 100 0C (5 min) 5 0C/min -> 300 0C
CapillaryRTX-5 MS1016.Mebazaa, Mahmoudi, et al., 200930. m/0.25 mm/0.25 «mu»m, Helium; Program: not specified
CapillaryPolydimethyl siloxanes1057.Zenkevich, Eliseenkov, et al., 2006Program: not specified
CapillaryMethyl Silicone970.Yu and Zazhi, 2005Program: not specified
CapillaryCP Sil 2989.Fuhrer, Deissler, et al., 199755. m/0.25 mm/0.25 «mu»m, N2; Program: 40C(3min) => 20C/min => 80C => 2C/min => 240C(45min)
CapillaryPolydimethyl siloxanes1009.Zenkevich and Chupalov, 1996Program: not specified
CapillaryDB-51050.Sorimachi, Tanabe, et al., 1995He; Column length: 30. m; Program: not specified
CapillaryDB-1986.Ciccioli, Cecinato, et al., 199460. m/0.32 mm/0.25 «mu»m; Program: not specified
CapillarySPB-1988.Vezzani, Moretti, et al., 1994Column length: 30. m; Column diameter: 0.32 mm; Program: not specified
CapillaryPTE-51047.Nakano, Fujimori, et al., 199225. m/0.20 mm/0.33 «mu»m; Program: 50 0C (2 min) 30 0C/min -> 200 0C 8 0C/min -> 280 0C (10 min)
CapillaryUltra-21029.Nakano, Fujimori, et al., 199225. m/0.20 mm/0.33 «mu»m; Program: 50 0C (2 min) 30 0C/min -> 200 0C 8 0C/min -> 280 0C (10 min)
CapillarySE-30987.Ibrahim and Suffet, 1988N2; Column length: 60. m; Column diameter: 0.32 mm; Program: 50C(8min) => 3C/min => 150C => 35C/min => 275C (10min)
CapillaryOV-1985.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.1000.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.985.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.988.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.995.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified
CapillaryOV-1994.Ramsey and Flanagan, 1982Program: not specified
OtherMethyl Silicone1023.Ardrey and Moffat, 1981Program: not specified

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-FFAP1420.Mebazaa, Mahmoudi, et al., 200930. m/0.25 mm/0.25 «mu»m, Helium; Program: 50 0C 2 0C/min -> 100 0C (5 min) 5 0C/min -> 250 0C
CapillaryDB-FFAP1434.Mebazaa, Mahmoudi, et al., 200930. m/0.25 mm/0.25 «mu»m, Helium; Program: not specified
CapillaryBP-201436.Pontes, Marques, et al., 200730. m/0.25 mm/0.25 «mu»m, He; Program: 50C(1min) => 2.5C/min => 100C => 2C/min => 180C => 15C/min => 220C
CapillaryBP-201436.Pontes, Marques, et al., 200730. m/0.25 mm/0.25 «mu»m, He; Program: 50C(1min) => 2.5C/min => 100C => 2C/min => 180C => 15C/min => 220C
CapillaryCarbowax 20M1495.Ramsey and Flanagan, 1982Program: not specified

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

View large format table.

Column type Active phase I Reference Comment
CapillaryHP5-MS163.Vrana, Paschke, et al., 200530. m/0.25 mm/0.25 «mu»m, Helium, 50. C @ 5. min, 5. K/min, 280. C @ 10. min
CapillaryDB-5162.0Donnelly, Abdel-Hamid, et al., 199330. m/0.32 mm/0.25 «mu»m, He, 40. C @ 3. min, 8. K/min, 285. C @ 29.5 min

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

View large format table.

Column type Active phase I Reference Comment
CapillaryMethyl Silicone163.15Eckel, Ross, et al., 1993Program: not specified
CapillaryMethyl Silicone164.81Eckel, Ross, et al., 1993Program: not specified

References

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

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

Platonov and Simulin, 1984
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Walsh and Smith, 1961, 2
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Darkis, F.R.; Vermillion, H.E.; Gross, P.M., p--Dichlorobenzene as a Vapor Fumigant Physical and Chemical Studies, Ind. Eng. Chem., 1940, 32, 7, 946-949, https://doi.org/10.1021/ie50367a018 . [all data]

Jones, 1960
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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]

Booss and Hauschildt, 1972
Booss, H.J.; Hauschildt, K.R., Die Schmelzenthalpie des Benzils und 4-Nitrophenols, Z. Anal. Chem., 1972, 261(1), 32. [all data]

Petropavlov, Tsygankova, et al., 1988
Petropavlov, N.N.; Tsygankova, I.G.; Teslenko, L.A., Microcalorimetric investigation of polymorphic transitions in organic crystals, Sov. Phys. Crystallogr., 1988, 33(6), 853-855. [all data]

Dworkin, Figuiere, et al., 1975
Dworkin, A.; Figuiere, P.; Ghelfenstein, M.; Szwarc, H., Thermodynamic properties of the three solid phases of p-dichlorobenzene, Quatrieme Conference International de Thermodynamique Chimique, 1975, II, Thermophysique (capacites thermiques) pp. [all data]

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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]

Godnev and Sverdlin, 1961
Godnev, I.N.; Sverdlin, A.S., Equilibrium and dichlorobenzene isomer (Corrections), Russ. J. Phys. Chem. (Engl. Transl.), 1961, 35, 231-232. [all data]

Fujisawa, Oonishi, et al., 1991
Fujisawa, S.; Oonishi, I.; Masuda, S.; Ohno, K.; Harada, Y., Penning ionization electron spectroscopy of dichlorobenzenes, J. Phys. Chem., 1991, 95, 4250. [all data]

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Potts, Lyus, et al., 1980
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Streets and Ceasar, 1973
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Brown, 1970
Brown, P., Kinetic studies in mass spectrometry-IV. The [M - Cl] reaction in substituted chlorobenzenes and the question of molecular ion isomerization, Org. Mass Spectrom., 1970, 3, 639. [all data]

Harangi, 2003
Harangi, J., Short communication. Retention index calculation without n-alkanes -- the virtual carbon number, J. Chromatogr. A, 2003, 993, 1-2, 187-195, https://doi.org/10.1016/S0021-9673(03)00320-0 . [all data]

Santiuste, Harangi, et al., 2003
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Tarjan, Nyiredy, et al., 1989
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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]

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Ramsey, Lee, et al., 1980
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Gautzsch and Zinn, 1996
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Helmig, Pollock, et al., 1996
Helmig, D.; Pollock, W.; Greenberg, J.; Zimmerman, P., Gas chromatography mass spectrometry analysis of volatile organic trace gases at Mauna Loa Observatory, Hawaii, J. Geophys. Res., 1996, 101, D9, 14697-14710, https://doi.org/10.1029/96JD00212 . [all data]

Gerbino and Castello, 1995
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White, Hackett, et al., 1992
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Yasuhara, Shiraishi, et al., 1997
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Peng, Ding, et al., 1988
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Chung, Yung, et al., 2001
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Chung, 1999
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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]

Matiella and Hsieh, 1990
Matiella, J.E.; Hsieh, T.C.-Y., Analysis of crabmeat volatile compounds, J. Food Sci., 1990, 55, 4, 962-966, https://doi.org/10.1111/j.1365-2621.1990.tb01575.x . [all data]

Bermejo, Moinelo, et al., 1980
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Zenkevich, Moeder, et al., 2004
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Health Safety Executive, 2000
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Messadi and Ali-Mokhnache, 1993
Messadi, D.; Ali-Mokhnache, S., Calculation of retention indices and peak widths in temperature programmed gas-liquid chromatography, Chromatographia, 1993, 37, 5/6, 264-270, https://doi.org/10.1007/BF02278631 . [all data]

Harland, Cumming, et al., 1986
Harland, B.J.; Cumming, R.I.; Gillings, E., The Kovats indexes of some organic micropollutants on an SE54 capillary column, EUR, I Org. Micropollut. Aquat. Environ., 1986, EUR 10388, 123-127. [all data]

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Notes

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