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3-Chlorobiphenyl

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

Quantity Value Units Method Reference Comment
Deltacliquid-1445.02kcal/molCcbBrull, 1935 

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
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tboil557.7KN/AWeast and Grasselli, 1989BS
Quantity Value Units Method Reference Comment
Deltavap17.8 ± 0.26kcal/molCGCPuri, Chickos, et al., 2001AC

Enthalpy of vaporization

DeltavapH (kcal/mol) Temperature (K) Method Reference Comment
15.9368.GCFalconer and Bidleman, 1994Based on data from 343. - 393. K.; AC
15.8335.MEFerro, Piacente, et al., 1983Based on data from 310. - 359. K.; AC
16.5372.TEFerro, Piacente, et al., 1983Based on data from 341. - 402. K.; AC
15.8494.QMGeidarov, Dzhafarov, et al., 1975Based on data from 452. - 536. K.; AC

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

Gas Phase Spectrum

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IR spectrum
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Additional Data

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Owner NIST Standard Reference Data Program
Collection (C) 2018 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
State gas
Instrument HP-GC/MS/IRD

This IR spectrum is from the NIST/EPA Gas-Phase Infrared Database .


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 T.L.Hayes, Battelle Columbus Laboratories, Columbus, OH 43221
NIST MS number 80801

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.


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
PackedOV-101200.1575.Albro, Haseman, et al., 1977Chromosorb W HP (80-100 mesh); Column length: 3. m
CapillaryOV-101180.1567.1Krupcik, Leclercq, et al., 1976Column length: 50. m
CapillaryOV-101190.1571.4Krupcik, Leclercq, et al., 1976Column length: 50. m
CapillaryOV-101200.1575.7Krupcik, Leclercq, et al., 1976Column length: 50. m

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

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Column type Active phase I Reference Comment
CapillaryMethyl Silicone1535.Kozloski, 1985He, 5. K/min; Column length: 10. m; Column diameter: 0.21 mm; Tstart: 60. C; Tend: 210. C

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryHP-51560.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
CapillarySPB-11535.Nakano, Tsuji, et al., 198730. m/0.25 mm/0.25 «mu»m, 4. K/min; Tstart: 130. C; Tend: 280. C

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

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Column type Active phase I Reference Comment
CapillaryPolydimethyl siloxanes1548.Zenkevich and Chupalov, 1996Program: not specified
CapillaryApolane1554.Bush, Murphy, et al., 1985He; Column length: 50. m; Column diameter: 0.25 mm; Program: 70 0C (2 min) 10 0C/min (6 min) 2 0C/min -> 250 0C

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.

Brull, 1935
Brull, L., Sui calori di combustione di alcuni derivati del bifenil, Gazz. Chim. Ital., 1935, 65, 19-28. [all data]

Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]

Puri, Chickos, et al., 2001
Puri, Swati; Chickos, James S.; Welsh, William J., Determination of Vaporization Enthalpies of Polychlorinated Biphenyls by Correlation Gas Chromatography, Anal. Chem., 2001, 73, 7, 1480-1484, https://doi.org/10.1021/ac001246p . [all data]

Falconer and Bidleman, 1994
Falconer, Renee L.; Bidleman, Terry F., Vapor pressures and predicted particle/gas distributions of polychlorinated biphenyl congeners as functions of temperature and ortho-chlorine substitution, Atmospheric Environment, 1994, 28, 3, 547-554, https://doi.org/10.1016/1352-2310(94)90130-9 . [all data]

Ferro, Piacente, et al., 1983
Ferro, Daniela; Piacente, Vincenzo; Scardala, Paolo, Torsion---Knudsen effusion vapour-pressure measurement of o, m and p-chlorobiphenyls, Thermochimica Acta, 1983, 68, 2-3, 329-339, https://doi.org/10.1016/0040-6031(83)80235-4 . [all data]

Geidarov, Dzhafarov, et al., 1975
Geidarov, K.I.; Dzhafarov, O.I.; Karasharli, K.A., Russ. J. Phys. Chem., 1975, 49, 197. [all data]

Albro, Haseman, et al., 1977
Albro, P.W.; Haseman, J.K.; Clemmer, T.A.; Corbett, B.J., Identification of the Individual Polychlorinated Biphenyls in a Mixture by Gas-Liquid Chromatography, J. Chromatogr., 1977, 136, 1, 147-153, https://doi.org/10.1016/S0021-9673(00)83003-4 . [all data]

Krupcik, Leclercq, et al., 1976
Krupcik, J.; Leclercq, P.A.; Símová, A.; Suchánek, P.; Collák, M.; Hrivnák, J., Possibilities and limitations of capillary gas chromatography and mass spectrometry in the analysis of polychlorinated biphenyls, J. Chromatogr., 1976, 119, 271-283, https://doi.org/10.1016/S0021-9673(00)86791-6 . [all data]

Kozloski, 1985
Kozloski, R.P., Polychlorinated biphenyl retention time standards obtained by chemical dechlorination of polychlorinated biphenyl isomers, J. Chromatogr., 1985, 318, 211-219, https://doi.org/10.1016/S0021-9673(01)90682-X . [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]

Nakano, Tsuji, et al., 1987
Nakano, T.; Tsuji, M.; Okuno, T., Analytical methods for PCB using GC/ECD and GC/MS with capillary column, Report of the Environmental Science Institute of Hyoho Prefecture, 1987, 19, 57-62. [all data]

Zenkevich and Chupalov, 1996
Zenkevich, I.G.; Chupalov, A.A., New Possibilities of Chromato Mass Pectrometric Identification of Organic Compounds Using Increments of Gas Chromatographic Retention Indices of Molecular Structural Fragments, Zh. Org. Khim. (Rus.), 1996, 32, 5, 656-666. [all data]

Bush, Murphy, et al., 1985
Bush, B.; Murphy, M.J.; Connor, S.; Snow, J.; Barnard, E., Improvements in Glass Capillary Gas Chromatographic Polychlorobiphenyl Analysis, J. Chromatogr. Sci., 1985, 23, 11, 509-515, https://doi.org/10.1093/chromsci/23.11.509 . [all data]


Notes

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