Chemical Properties of 2,2',3,3',5,5',6,6'-Octachlorobiphenyl (CAS 2136-99-4)

2,2',3,3',5,5',6,6'-Octachlorobiphenyl

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InChI
InChI=1S/C12H2Cl8/c13-3-1-4(14)10(18)7(9(3)17)8-11(19)5(15)2-6(16)12(8)20/h1-2H
InChI Key
JPOPEORRMSDUIP-UHFFFAOYSA-N
Formula
C12H2Cl8
SMILES
Clc1cc(Cl)c(Cl)c(-c2c(Cl)c(Cl)cc(Cl)c2Cl)c1Cl
Molecular Weight1
429.77
CAS
2136-99-4
Other Names
  • 2,2',3,3',5,5',6,6'-Octachloro-1,1'-biphenyl
  • 2,2',3,3',5,5',6,6'-Octachlorobiphenyl
  • 2,3,5,6,2',3',5',6'-Octachlorobiphenyl
  • Biphenyl, 2,2',3,3',5,5',6,6'-octachloro-
  • PCB 202
Sources

Physical Properties

Property Value Unit Source
Δf 102.50 kJ/mol Joback Calculated Property
Δfgas -35.63 kJ/mol Joback Calculated Property
Δfus 45.38 kJ/mol Joback Calculated Property
Δvap 87.23 kJ/mol Joback Calculated Property
logPoct/wat 8.58 Crippen Calculated Property
Pc 2216.62 kPa Joback Calculated Property
Tboil 866.60 K Joback Calculated Property
Tc 1140.81 K Joback Calculated Property
Tfus 433.80 ± 0.20 K NIST
Vc 0.88 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 427.83 J/mol×K 866.6 Joback Calculated Property
η 0.00 Pa×s 866.6 Joback Calculated Property
ΔfusH 22.80 kJ/mol 433.8 NIST
ΔfusH 22.80 kJ/mol 433.8 NIST
ΔsubH 101.70 kJ/mol 318.0 NIST
ΔvapH 92.90 kJ/mol 368.0 NIST
ΔvapH 92.90 kJ/mol 398.0 NIST

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 10
-Cl 8
=CH- (ring) 2

Similar Compounds

1,1'-Biphenyl, 2,2',3,3',5,6'-hexachloro-. 2,2',3,3',5,6-Hexachloro-1,1'-biphenyl. 2,2',3,5,5',6-Hexachloro-1,1'-biphenyl. 1,1'-Biphenyl, 2,2',3,3',5,5',6-heptachloro-. 1,1'-Biphenyl, 2,2',3,3',5,6,6'-heptachloro-. 1,1'-Biphenyl, 2,2',3,5,6,6'-hexachloro. 1,1'-Biphenyl, 2,2',3,5,6-Pentachloro-. 1,1'-Biphenyl, 2,2',3,3',6,6'-hexachloro-. 1,1'-Biphenyl, 2,2',3,3',6-pentachloro-. 1,1'-Biphenyl, 2,2',3,5',6-pentachloro-. 1,1'-Biphenyl, 2,2',3,5,6'-pentachloro. PCB 96. 2,2',3,6-Tetrachloro-1,1'-biphenyl. 1,1'-Biphenyl, 2,2',3,5,5'-pentachloro-. 1,1'-Biphenyl, 2,2',3,3',5-pentachloro-.

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