Chemical Properties of 1,1'-Biphenyl, 2,2',3,4,4',5,5'-heptachloro- (CAS 35065-29-3)

InChI

InChI=1S/C12H3Cl7/c13-6-3-8(15)7(14)1-4(6)5-2-9(16)11(18)12(19)10(5)17/h1-3H

InChI Key

WBHQEUPUMONIKF-UHFFFAOYSA-N

Formula

C12H3Cl7

SMILES

Clc1cc(Cl)c(-c2cc(Cl)c(Cl)c(Cl)c2Cl)cc1Cl

Molecular Weight¹

395.32

CAS

35065-29-3

Other Names

• 2,2',3,4,4',5,5'-heptachloro-1,1'-biphenyl
• 2,2',3,4,4',5,5'-heptachlorobiphenyl
• 2,3,4,5,2',4',5'-heptachlorobiphenyl
• PCB 180

• 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°	124.06	kJ/mol	Joback Calculated Property
ΔfH°gas	-8.42	kJ/mol	Joback Calculated Property
ΔfusH°	41.57	kJ/mol	Joback Calculated Property
ΔvapH°	82.19	kJ/mol	Joback Calculated Property
log10WS	-8.87		Crippen Calculated Property
logPoct/wat	7.927		Crippen Calculated Property
McVol	218.100	ml/mol	McGowan Calculated Property
Pc	2329.27	kPa	Joback Calculated Property
Inp	[2473.10; 2526.00]
Inp	2473.10		NIST
Inp	2494.00		NIST
Inp	2526.00		NIST
Inp	2494.00		NIST
Inp	2494.00		NIST
Inp	2473.10		NIST
Tboil	824.19	K	Joback Calculated Property
Tc	1096.84	K	Joback Calculated Property
Tfus	574.92	K	Joback Calculated Property
Vc	0.835	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[415.14; 446.42]	J/mol×K	[824.19; 1096.84]
Cp,gas	415.14	J/mol×K	824.19	Joback Calculated Property
Cp,gas	422.07	J/mol×K	869.63	Joback Calculated Property
Cp,gas	428.26	J/mol×K	915.07	Joback Calculated Property
Cp,gas	433.75	J/mol×K	960.51	Joback Calculated Property
Cp,gas	438.58	J/mol×K	1005.96	Joback Calculated Property
Cp,gas	442.79	J/mol×K	1051.40	Joback Calculated Property
Cp,gas	446.42	J/mol×K	1096.84	Joback Calculated Property
η	[0.0001272; 0.0004373]	Pa×s	[574.92; 824.19]
η	0.0004373	Pa×s	574.92	Joback Calculated Property
η	0.0003321	Pa×s	616.47	Joback Calculated Property
η	0.0002611	Pa×s	658.01	Joback Calculated Property
η	0.0002113	Pa×s	699.56	Joback Calculated Property
η	0.0001750	Pa×s	741.10	Joback Calculated Property
η	0.0001479	Pa×s	782.64	Joback Calculated Property
η	0.0001272	Pa×s	824.19	Joback Calculated Property
ΔvapH	96.50	kJ/mol	368.00	NIST

Similar Compounds

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

Mixtures

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

Sources

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

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