Chemical Properties of 1,1'-Biphenyl, 2,2',3,3',6,6'-hexachloro- (CAS 38411-22-2)

1,1'-Biphenyl, 2,2',3,3',6,6'-hexachloro-

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InChI
InChI=1S/C12H4Cl6/c13-5-1-3-7(15)11(17)9(5)10-6(14)2-4-8(16)12(10)18/h1-4H
InChI Key
FZFUUSROAHKTTF-UHFFFAOYSA-N
Formula
C12H4Cl6
SMILES
Clc1ccc(Cl)c(-c2c(Cl)ccc(Cl)c2Cl)c1Cl
Molecular Weight1
360.88
CAS
38411-22-2
Other Names
  • 2,2',3,3',6,6'-Hexachloro-1,1'-biphenyl
  • 2,2',3,3',6,6'-Hexachlorobiphenyl
  • 2,3,6,2',3',6'-Hexachlorobiphenyl
  • PCB 136
Sources

Physical Properties

Property Value Unit Source
Δf 145.62 kJ/mol Joback Calculated Property
Δfgas 18.79 kJ/mol Joback Calculated Property
Δfus 37.77 kJ/mol Joback Calculated Property
Δvap 77.14 kJ/mol Joback Calculated Property
logPoct/wat 7.27 Crippen Calculated Property
Pc 2450.74 kPa Joback Calculated Property
Tboil 781.78 K Joback Calculated Property
Tc 1052.68 K Joback Calculated Property
Tfus 385.20 ± 0.20 K NIST
Vc 0.79 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 401.07 J/mol×K 781.78 Joback Calculated Property
η 0.00 Pa×s 781.78 Joback Calculated Property
ΔfusH 21.10 kJ/mol 385.2 NIST
ΔfusH 21.10 kJ/mol 385.2 NIST

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 8
-Cl 6
=CH- (ring) 4

Similar Compounds

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

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