1,1'-Biphenyl, 2,2',3,3',5,5',6,6'-octachloro-
- Formula: C12H2Cl8
- Molecular weight: 429.768
- IUPAC Standard InChIKey: JPOPEORRMSDUIP-UHFFFAOYSA-N
- CAS Registry Number: 2136-99-4
- 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, 2,2',3,3',5,5',6,6'-octachloro-; 2,2',3,3',5,5',6,6'-Octachlorobiphenyl; 2,3,5,6,2',3',5',6'-Octachlorobiphenyl; 2,2',3,3',5,5',6,6'-Octachloro-1,1'-biphenyl; PCB 202
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Phase change data
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, 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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tfus | 433.8 | K | N/A | Miller, Ghodbane, et al., 1984 | Uncertainty assigned by TRC = 0.2 K; TRC |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
92.9 | 368. | GC | Falconer and Bidleman, 1994 | Based on data from 343. to 393. K.; AC |
92.9 | 398. | GC | Hinckley, Bidleman, et al., 1990 | Based on data from 343. to 453. K.; AC |
Enthalpy of sublimation
ΔsubH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
101.7 | 318. | GS | Burkhard, Armstrong, et al., 1984 | Based on data from 302. to 334. K.; AC |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
22.8 | 433.8 | Acree, 1991 | AC |
Mass spectrum (electron ionization)
Go To: Top, Phase change data, Gas Chromatography, 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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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 | Organic Synthesis Lab, MSU, Moscow.TRC 1185 |
NIST MS number | 326577 |
Gas Chromatography
Go To: Top, Phase change data, 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 by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | CP Sil 5 CB | 2381. | Wells, Gillespie, et al., 1985 | 120. C @ 1. min, 3. K/min; Column length: 25. m; Column diameter: 0.22 mm; Tend: 250. C |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | SPB-1 | 2403. | 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 | Apolane | 2410. | 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 |
Capillary | Apolane | 2410. | 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 |
Capillary | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 2381. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Capillary | Apiezon L | 2391. | Ballschmiter and Zell, 1980 | H2; Column length: 40. m; Column diameter: 0.30 mm; Program: not specified |
References
Go To: Top, Phase change data, Mass spectrum (electron ionization), Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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]
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]
Hinckley, Bidleman, et al., 1990
Hinckley, Daniel A.; Bidleman, Terry F.; Foreman, William T.; Tuschall, Jack R.,
Determination of vapor pressures for nonpolar and semipolar organic compounds from gas chromatograhic retention data,
J. Chem. Eng. Data, 1990, 35, 3, 232-237, https://doi.org/10.1021/je00061a003
. [all data]
Burkhard, Armstrong, et al., 1984
Burkhard, L.P.; Armstrong, D.E.; Andren, A.W.,
Vapor pressures for biphenyl, 4-chlorobiphenyl, 2,2',3,3',5,5',6,6'-octachlorobiphenyl, and decachlorobiphenyl,
J. Chem. Eng. Data, 1984, 29, 3, 248-250, https://doi.org/10.1021/je00037a006
. [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]
Wells, Gillespie, et al., 1985
Wells, D.E.; Gillespie, M.J.; Porter, A.E.A.,
Dichlorobenzyl alkyl ether homologs as retention index markers and internal standards for the analysis of environmental samples using capillary gas chromatography,
J. Hi. Res. Chromatogr. Chromatogr. Comm., 1985, 8, 8, 443-449, https://doi.org/10.1002/jhrc.1240080818
. [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]
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]
Waggott and Davies, 1984
Waggott, A.; Davies, I.W.,
Identification of organic pollutants using linear temperature programmed retention indices (LTPRIs) - Part II, 1984, retrieved from http://dwi.defra.gov.uk/research/completed-research/reports/dwi0383.pdf. [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]
Notes
Go To: Top, Phase change data, Mass spectrum (electron ionization), Gas Chromatography, References
- Symbols used in this document:
Tfus Fusion (melting) point ΔfusH Enthalpy of fusion ΔsubH Enthalpy of sublimation ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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