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Benzene, 1-bromo-2-chloro-

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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 by: Eugene S. Domalski and Elizabeth D. Hearing

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
176.9298.15Narbutt, 1918T = 198 to 374 K. Cp = 0.21497 + 0.0002348t cal/g*K. Cp value calculated from equation.

Phase change data

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

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

Quantity Value Units Method Reference Comment
Tboil477.2KN/AAldrich Chemical Company Inc., 1990BS
Tboil468.KN/ABuckingham and Donaghy, 1982BS
Quantity Value Units Method Reference Comment
Tfus261.KN/ABuckingham and Donaghy, 1982BS
Tfus260.55KN/ANarbutt, 1918, 2Uncertainty assigned by TRC = 0.2 K; TRC

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Reference Comment
12.37260.6Domalski and Hearing, 1996AC
12.368260.55Narbutt, 1918DH

Entropy of fusion

DeltafusS (J/mol*K) Temperature (K) Reference Comment
47.5260.55Narbutt, 1918DH

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IR Spectrum

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Data compiled by: Coblentz Society, Inc.

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


Mass spectrum (electron ionization)

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

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

Spectrum

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Mass spectrum
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Additional Data

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Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin Japan AIST/NIMC Database- Spectrum MS-NW- 837
NIST MS number 228903

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Gas Chromatography

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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

Kovats' RI, non-polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillaryDB-5110.1137.48Gerbino, Garbarino, et al., 199630. m/0.53 mm/1.5 «mu»m, N2
CapillaryDB-570.1111.54Gerbino, Garbarino, et al., 199630. m/0.53 mm/1.5 «mu»m, N2
CapillaryDB-590.1123.72Gerbino, Garbarino, et al., 199630. m/0.53 mm/1.5 «mu»m, N2

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

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Column type Active phase I Reference Comment
CapillaryOV-11097.6Gautzsch and Zinn, 19968. K/min; Tstart: 35. C; Tend: 300. C
CapillaryOV-11097.6Gautzsch and Zinn, 19968. K/min; Tstart: 35. C; Tend: 300. C
CapillaryDB-51105.74Gerbino, Garbarino, et al., 199630. m/0.53 mm/1.5 «mu»m, N2, 2. K/min; Tstart: 50. C
CapillaryDB-51110.94Gerbino, Garbarino, et al., 199630. m/0.53 mm/1.5 «mu»m, N2, 2. K/min; Tstart: 50. C
CapillaryDB-51116.38Gerbino, Garbarino, et al., 199630. m/0.53 mm/1.5 «mu»m, N2, 2. K/min; Tstart: 50. C
CapillaryDB-11120.Gerbino and Castello, 199530. m/0.235 mm/0.25 «mu»m, N2, 100. C @ 0. min, 10. K/min
CapillaryDB-11111.Gerbino and Castello, 199530. m/0.235 mm/0.25 «mu»m, N2, 100. C @ 0. min, 5. K/min
CapillaryDB-11100.Gerbino and Castello, 199530. m/0.235 mm/0.25 «mu»m, N2, 50. C @ 0. min, 10. K/min
CapillaryDB-11094.Gerbino and Castello, 199530. m/0.235 mm/0.25 «mu»m, N2, 50. C @ 0. min, 5. K/min

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

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Column type Active phase I Reference Comment
CapillaryDB-Wax1665.31Gerbino and Castello, 199530. m/0.235 mm/0.5 «mu»m, N2, 10. K/min; Tstart: 100. C
CapillaryDB-Wax1653.05Gerbino and Castello, 199530. m/0.235 mm/0.5 «mu»m, N2, 5. K/min; Tstart: 100. C
CapillaryDB-Wax1650.41Gerbino and Castello, 199530. m/0.235 mm/0.5 «mu»m, N2, 10. K/min; Tstart: 50. C
CapillaryDB-Wax1633.76Gerbino and Castello, 199530. m/0.235 mm/0.5 «mu»m, N2, 5. K/min; Tstart: 50. C

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

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Column type Active phase I Reference Comment
CapillaryHP5-MS188.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

References

Go To: Top, Condensed phase thermochemistry data, Phase change 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.

Narbutt, 1918
Narbutt, J., Die Spezifischen Warmen und Schmelzwarmen der dichloro-, chlorbrom-, dibrom-, bromjod-, und dijodbenzole. I, Z. Elektrochem., 1918, 24, 339-342. [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]

Buckingham and Donaghy, 1982
Buckingham, J.; Donaghy, S.M., Dictionary of Organic Compounds: Fifth Edition, Chapman and Hall, New York, 1982, 1. [all data]

Narbutt, 1918, 2
Narbutt, J., The specific heats and heats of melting of dichlorobenzene, bromochlorobenzene, dibromobenzene, bromiodobenzene and diiodobenzenes: I, Z. Elektrochem. Angew. Phys. Chem., 1918, 24, 339-42. [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]

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]

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]

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]

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]


Notes

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