Chemical Properties of 1,1'-Biphenyl, 2,2',3,4,4',5'-hexachloro- (CAS 35065-28-2)

InChI

InChI=1S/C12H4Cl6/c13-7-2-1-5(11(17)12(7)18)6-3-9(15)10(16)4-8(6)14/h1-4H

InChI Key

RPUMZMSNLZHIGZ-UHFFFAOYSA-N

Formula

C12H4Cl6

SMILES

Clc1cc(Cl)c(-c2ccc(Cl)c(Cl)c2Cl)cc1Cl

Molecular Weight¹

360.88

CAS

35065-28-2

Other Names

• 1,2,3-trichloro-4-(2,4,5-trichlorophenyl)benzene
• 2,2',3',4,4',5-Hexachlorobiphenyl
• 2,2',3,4,4',5'-Hexachlorobiphenyl
• 2,2',3,4,4',5'-hexachloro-1,1'-biphenyl
• 2,3,4,2',4',5'-Hexachlorobiphenyl
• 2,4,5,2',3',4'-hexachlorobiphenyl
• PCB-138

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	145.62	kJ/mol	Joback Calculated Property
ΔfH°gas	18.79	kJ/mol	Joback Calculated Property
ΔfusH°	37.77	kJ/mol	Joback Calculated Property
ΔvapH°	77.14	kJ/mol	Joback Calculated Property
log10WS	-8.32		Aq. Sol...
logPoct/wat	7.274		Crippen Calculated Property
McVol	205.860	ml/mol	McGowan Calculated Property
Pc	2450.74	kPa	Joback Calculated Property
Inp	[2311.00; 2390.00]
Inp	2343.00		NIST
Inp	2343.00		NIST
Inp	2343.00		NIST
Inp	2390.00		NIST
Inp	2311.00		NIST
Inp	2355.00		NIST
Inp	2364.00		NIST
Inp	2311.00		NIST
Tboil	781.78	K	Joback Calculated Property
Tc	1052.68	K	Joback Calculated Property
Tfus	532.48	K	Joback Calculated Property
Vc	0.785	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[401.07; 438.05]	J/mol×K	[781.78; 1052.68]
Cp,gas	401.07	J/mol×K	781.78	Joback Calculated Property
Cp,gas	409.07	J/mol×K	826.93	Joback Calculated Property
Cp,gas	416.26	J/mol×K	872.08	Joback Calculated Property
Cp,gas	422.71	J/mol×K	917.23	Joback Calculated Property
Cp,gas	428.46	J/mol×K	962.38	Joback Calculated Property
Cp,gas	433.56	J/mol×K	1007.53	Joback Calculated Property
Cp,gas	438.05	J/mol×K	1052.68	Joback Calculated Property
η	[0.0001419; 0.0005388]	Pa×s	[532.48; 781.78]
η	0.0005388	Pa×s	532.48	Joback Calculated Property
η	0.0003981	Pa×s	574.03	Joback Calculated Property
η	0.0003063	Pa×s	615.58	Joback Calculated Property
η	0.0002437	Pa×s	657.13	Joback Calculated Property
η	0.0001992	Pa×s	698.68	Joback Calculated Property
η	0.0001666	Pa×s	740.23	Joback Calculated Property
η	0.0001419	Pa×s	781.78	Joback Calculated Property
ΔvapH	91.90	kJ/mol	368.00	NIST

Similar Compounds

Find more compounds similar to 1,1'-Biphenyl, 2,2',3,4,4',5'-hexachloro-.

Mixtures

• 1,1'-Biphenyl, 2,2',3,4,4',5'-hexachloro- + Water

Sources

• Crippen Method
• Henry's Law Constants for Eleven Polychlorinated Biphenyls at 20 C
• Joback Method
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook

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