3-Chlorobiphenyl
- Formula: C12H9Cl
- Molecular weight: 188.653
- IUPAC Standard InChIKey: NMWSKOLWZZWHPL-UHFFFAOYSA-N
- CAS Registry Number: 2051-61-8
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Biphenyl, 3-chloro-; 1,1'-Biphenyl, 3-chloro-; 1,1'-Biphenyl, 3-monochloro-; m-Chlorobiphenyl; 3-Chlorodiphenyl; 3-Chloro-1,1'-biphenyl; 3-Monochlorobiphenyl; PCB 2; m-Chlorodiphenyl
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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 |
---|---|---|---|---|---|
ΔcH°liquid | -6045.96 | kJ/mol | Ccb | Brull, 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 |
---|---|---|---|---|---|
Tboil | 557.7 | K | N/A | Weast and Grasselli, 1989 | BS |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 74.3 ± 1.1 | kJ/mol | CGC | Puri, Chickos, et al., 2001 | AC |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
66.6 | 368. | GC | Falconer and Bidleman, 1994 | Based on data from 343. to 393. K.; AC |
66.2 | 335. | ME | Ferro, Piacente, et al., 1983 | Based on data from 310. to 359. K.; AC |
69.2 | 372. | TE | Ferro, Piacente, et al., 1983 | Based on data from 341. to 402. K.; AC |
66.0 | 494. | QM | Geidarov, Dzhafarov, et al., 1975 | Based on data from 452. to 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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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 |
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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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 | T.L.Hayes, Battelle Columbus Laboratories, Columbus, OH 43221 |
NIST MS number | 80801 |
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
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Packed | OV-101 | 200. | 1575. | Albro, Haseman, et al., 1977 | Chromosorb W HP (80-100 mesh); Column length: 3. m |
Capillary | OV-101 | 180. | 1567.1 | Krupcik, Leclercq, et al., 1976 | Column length: 50. m |
Capillary | OV-101 | 190. | 1571.4 | Krupcik, Leclercq, et al., 1976 | Column length: 50. m |
Capillary | OV-101 | 200. | 1575.7 | Krupcik, Leclercq, et al., 1976 | Column length: 50. m |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Methyl Silicone | 1535. | Kozloski, 1985 | He, 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
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5 | 1560. | Zenkevich, Moeder, et al., 2004 | 30. m/0.25 mm/0.25 μm, Helium, 50. C @ 3. min, 3. K/min, 280. C @ 20. min |
Capillary | SPB-1 | 1535. | Nakano, Tsuji, et al., 1987 | 30. m/0.25 mm/0.25 μm, 4. K/min; Tstart: 130. C; Tend: 280. C |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Polydimethyl siloxanes | 1548. | Zenkevich and Chupalov, 1996 | Program: not specified |
Capillary | Apolane | 1554. | Bush, Murphy, et al., 1985 | He; 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
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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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- Symbols used in this document:
Tboil Boiling point ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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