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1,1'-Biphenyl, 4-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
Deltacsolid-1443.61kcal/molCcbBrull, 1935ALS
Quantity Value Units Method Reference Comment
solid,1 bar61.40cal/mol*KN/AGeidarov, Dzhafarov, et al., 1975DH
solid,1 bar61.401cal/mol*KN/AGeidarov, Karasharli, et al., 1977DH

Constant pressure heat capacity of solid

Cp,solid (cal/mol*K) Temperature (K) Reference Comment
58.260298.15Geidarov, Karasharli, et al., 1977Based on previously published work of authors, not available in detail, on Cp 12 to 370 K.; DH
58.27298.15Geidarov, Dzhafarov, et al., 1975T = 12 to 370 K.; DH

Phase change data

Go To: Top, Condensed phase thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), 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:
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
Tboil564.2KN/AWeast and Grasselli, 1989BS
Tboil555.KN/AFrinton Laboratories Inc., 1986BS
Quantity Value Units Method Reference Comment
Ttriple348.55KN/AGeidarov, Karasharli, et al., 1977, 2Uncertainty assigned by TRC = 0.02 K; TRC
Ttriple348.55KN/AGeidarov, Dzhafarov, et al., 1975, 2Uncertainty assigned by TRC = 0.02 K; TRC
Ttriple347.9KN/AGeidarov, Dzhafarov, et al., 1974Uncertainty assigned by TRC = 0.1 K; TRC
Quantity Value Units Method Reference Comment
Deltavap17.1 ± 0.2kcal/molCGCPuri, Chickos, et al., 2001AC

Enthalpy of vaporization

DeltavapH (kcal/mol) Temperature (K) Method Reference Comment
16.0368.GCFalconer and Bidleman, 1994Based on data from 343. - 393. K.; AC
15.8466.AStephenson and Malanowski, 1987Based on data from 451. - 536. K.; AC
14.1384.AStephenson and Malanowski, 1987Based on data from 369. - 566. K. See also Stull, 1947.; AC
16.2378.TEFerro, Piacente, et al., 1983Based on data from 348. - 409. 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
369.6 - 566.15.071782752.545-23.404Stull, 1947Coefficents calculated by NIST from author's data.

Enthalpy of sublimation

DeltasubH (kcal/mol) Temperature (K) Method Reference Comment
20.6 ± 0.2278.GSWania, Shiu, et al., 1994Based on data from 253. - 303. K.; AC
17.6 ± 0.2326.TE,MEFerro, Piacente, et al., 1983Based on data from 306. - 346. K.; AC

Enthalpy of fusion

DeltafusH (kcal/mol) Temperature (K) Reference Comment
3.1831348.55Geidarov, Dzhafarov, et al., 1975DH
3.1831348.55Geidarov, Karasharli, et al., 1977DH
3.184348.6Acree, 1991AC

Entropy of fusion

DeltafusS (cal/mol*K) Temperature (K) Reference Comment
9.132348.55Geidarov, Dzhafarov, et al., 1975DH
9.132348.55Geidarov, 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:


IR Spectrum

Go To: Top, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), References, Notes

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, Condensed phase thermochemistry data, Phase change data, IR 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

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 NIST Mass Spectrometry Data Center, 1994
NIST MS number 133301

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.


References

Go To: Top, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), 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., 1975
Geidarov, Kh.I.; Dzhafarov, O.I.; Karasharli, K.A.; Kostryukov, V.N., True heat capacity of p-chlorobiphenyl at 12 to 370 K, Zhur. Fiz. Khim., 1975, 49, 493-494. [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]

Frinton Laboratories Inc., 1986
Frinton Laboratories Inc., Catalog Number 11, Frinton Laboratories Inc., Vineland, NJ, 1986, 99. [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., 1975, 2
Geidarov, K.I.; Dzhafarov, O.I.; Karasharli, K.A.; Kostryukov, V.N., True heat capacity of p-chlorobiphenyl at 12 to 370 K, Zh. Fiz. Khim., 1975, 49, 493-4. [all data]

Geidarov, Dzhafarov, et al., 1974
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]

Wania, Shiu, et al., 1994
Wania, Frank; Shiu, Wan-Ying; Mackay, Donald, Measurement of the Vapor Pressure of Several Low-Volatility Organochlorine Chemicals at Low Temperatures with a Gas Saturation Method, J. Chem. Eng. Data, 1994, 39, 3, 572-577, https://doi.org/10.1021/je00015a039 . [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]


Notes

Go To: Top, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), References