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1,1'-Biphenyl, 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 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-1451.26kcal/molCcbBrull, 1935ALS
Quantity Value Units Method Reference Comment
solid,1 bar72.600cal/mol*KN/AGeidarov, Dzhafarov, et al., 1974DH
solid,1 bar60.779cal/mol*KN/AGeidarov, Karasharli, et al., 1977DH

Constant pressure heat capacity of solid

Cp,solid (cal/mol*K) Temperature (K) Reference Comment
50.650298.15Geidarov, Karasharli, et al., 1977Based on previously published work of authors, not available in detail, on Cp 12 to 370 K.; DH
49.720298.15Geidarov, Dzhafarov, et al., 1974T = 12 to 330 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
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tboil547.2KN/AWeast and Grasselli, 1989BS
Quantity Value Units Method Reference Comment
Tfus305.3KN/AMiller, Ghodbane, et al., 1984Uncertainty assigned by TRC = 0.2 K; TRC
Quantity Value Units Method Reference Comment
Ttriple304.94KN/AGeidarov, Karasharli, et al., 1977, 2Uncertainty assigned by TRC = 0.02 K; TRC
Ttriple304.94KN/AGeidarov, Dzhafarov, et al., 1974, 2Uncertainty assigned by TRC = 0.02 K; TRC
Quantity Value Units Method Reference Comment
Deltavap17.2 ± 0.48kcal/molCGCPuri, Chickos, et al., 2001AC

Enthalpy of vaporization

DeltavapH (kcal/mol) Temperature (K) Method Reference Comment
15.4368.GCFalconer and Bidleman, 1994Based on data from 343. - 393. K.; AC
13.8424.AStephenson and Malanowski, 1987Based on data from 409. - 540. K.; AC
14.6377.AStephenson and Malanowski, 1987Based on data from 362. - 541. K. See also Stull, 1947.; AC
17.8328.MEFerro, Piacente, et al., 1983Based on data from 306. - 350. K.; AC
13.3424.QMGeidarov, Dzhafarov, et al., 1975Based on data from 410. - 540. 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 Comment
362.5 - 540.75.500102877.437-18.667Stull, 1947Coefficents calculated by NIST from author's data.

Enthalpy of fusion

DeltafusH (kcal/mol) Temperature (K) Reference Comment
3.4699304.94Geidarov, Dzhafarov, et al., 1974DH
3.4699304.94Geidarov, Karasharli, et al., 1977DH
3.475304.9Acree, 1991AC

Entropy of fusion

DeltafusS (cal/mol*K) Temperature (K) Reference Comment
11.38304.94Geidarov, Dzhafarov, et al., 1974DH
11.38304.94Geidarov, Karasharli, et al., 1977DH

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:


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 compiled by: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Ionization energy determinations

IE (eV) Method Reference
8.20 ± 0.02PEMaier and Turner, 1972

IR Spectrum

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Data compiled by: Coblentz Society, Inc.


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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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 Chemical Concepts
NIST MS number 151185

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

View large format table.

Column type Active phase Temperature (C) I Reference Comment
PackedOV-101200.1508.Albro, Haseman, et al., 1977Chromosorb W HP (80-100 mesh); Column length: 3. m

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

View large format table.

Column type Active phase I Reference Comment
CapillaryMethyl Silicone1465.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, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
CapillaryApiezon L180.1538.Ballschmiter and Zell, 1980H2; Column length: 40. m; Column diameter: 0.30 mm
CapillaryApiezon L180.1538.Ballschmiter and Zell, 1980H2; Column length: 40. m; Column diameter: 0.30 mm

Normal alkane RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryHP-51482.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-11494.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

View large format table.

Column type Active phase I Reference Comment
CapillaryMethyl Silicone1485.Castello and Testini, 1996Program: not specified
CapillaryPolydimethyl siloxanes1461.Zenkevich and Chupalov, 1996Program: not specified
CapillaryApolane1459.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
CapillaryApolane1466.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, 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.

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

Geidarov, Dzhafarov, et al., 1974
Geidarov, Kh.I.; Dzhafarov, O.I.; Karasharli, K.A.; Kostryukov, V.N., The heat capacity of 2-chlorobinphenyl in the range 12-327 K, Zhur. Fiz. Khim., 1974, 48, 1147-1149. [all data]

Geidarov, Karasharli, et al., 1977
Geidarov, Kh.I.; Karasharli, K.A.; Dzhafarov, O.I., Analysis of the results of the thermodynamic investigation of diphenyl derivatives, Azerb. Khim. Zhur., 1977, (5), 112-115. [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]

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]

Geidarov, Karasharli, et al., 1977, 2
Geidarov, K.I.; Karasharli, K.A.; Dzhafarov, O.I., Analysis of the results of the thermodynamic investigation of diphenyl devivatives, Azerb. Khim. Zh., 1977, 1977, 112-5. [all data]

Geidarov, Dzhafarov, et al., 1974, 2
Geidarov, K.I.; Dzhafarov, O.I.; Karasharli, K.A.; Kostryukov, V.N., The heat capacity of 2-chlorobiphenyl in the range 12 - 327 k, Zh. Fiz. Khim., 1974, 48, 1147-9. [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]

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]

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]

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]

Maier and Turner, 1972
Maier, J.P.; Turner, D.W., Steric inhibition of resonance studied by molecular photoelectron spectroscopy. Part I. Biphenyls, Faraday Discuss. Chem. Soc., 1972, 54, 149. [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]

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]

Ballschmiter and Zell, 1980
Ballschmiter, K.; Zell, M., Analysis of polychlorinated biphenyls (PCB) by glass capillary gas chromatography, Fresenius Z. Anal. Chem., 1980, 302, 1, 20-31, https://doi.org/10.1007/BF00469758 . [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]

Castello and Testini, 1996
Castello, G.; Testini, G., Determination of retention indices of polychlorobiphenyls by using other compounds detectable by electron-capture detection or selected polychlorobiphenyls as the reference series, J. Chromatogr. A, 1996, 741, 2, 241-249, https://doi.org/10.1016/0021-9673(96)00160-4 . [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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