Chemical Properties of 1,1'-Biphenyl, 2,2',4,5,5'-pentachloro- (CAS 37680-73-2)

InChI

InChI=1S/C12H5Cl5/c13-6-1-2-9(14)7(3-6)8-4-11(16)12(17)5-10(8)15/h1-5H

InChI Key

LAHWLEDBADHJGA-UHFFFAOYSA-N

Formula

C12H5Cl5

SMILES

Clc1ccc(Cl)c(-c2cc(Cl)c(Cl)cc2Cl)c1

Molecular Weight¹

326.43

CAS

37680-73-2

Other Names

• 1,2,4-trichloro-5-(2,5-dichlorophenyl)benzene
• 2,2',4,5,5'-Pentachloro-1,1'-biphenyl
• 2,2',4,5,5'-Pentachlorobiphenyl
• PCB 101

• 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_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (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°	167.18	kJ/mol	Joback Calculated Property
ΔfH°gas	46.00	kJ/mol	Joback Calculated Property
ΔfusH°	33.96	kJ/mol	Joback Calculated Property
ΔvapH°	72.09	kJ/mol	Joback Calculated Property
log10WS	-7.53		Aq. Sol...
logPoct/wat	6.621		Crippen Calculated Property
McVol	193.620	ml/mol	McGowan Calculated Property
Pc	2581.96	kPa	Joback Calculated Property
Inp	[2082.20; 2135.00]
Inp	Outlier 2082.20		NIST
Inp	2134.00		NIST
Inp	2134.00		NIST
Inp	2134.00		NIST
Inp	2135.00		NIST
Inp	2130.00		NIST
Inp	2132.00		NIST
Inp	2134.00		NIST
Inp	Outlier 2082.20		NIST
Inp	2134.00		NIST
Inp	2130.00		NIST
Tboil	739.37	K	Joback Calculated Property
Tc	1008.22	K	Joback Calculated Property
Tfus	350.10 ± 0.20	K	NIST
Vc	0.737	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[385.50; 428.46]	J/mol×K	[739.37; 1008.22]
Cp,gas	385.50	J/mol×K	739.37	Joback Calculated Property
Cp,gas	394.64	J/mol×K	784.18	Joback Calculated Property
Cp,gas	402.91	J/mol×K	828.99	Joback Calculated Property
Cp,gas	410.38	J/mol×K	873.79	Joback Calculated Property
Cp,gas	417.08	J/mol×K	918.60	Joback Calculated Property
Cp,gas	423.09	J/mol×K	963.41	Joback Calculated Property
Cp,gas	428.46	J/mol×K	1008.22	Joback Calculated Property
η	[0.0001570; 0.0006694]	Pa×s	[490.04; 739.37]
η	0.0006694	Pa×s	490.04	Joback Calculated Property
η	0.0004783	Pa×s	531.60	Joback Calculated Property
η	0.0003588	Pa×s	573.15	Joback Calculated Property
η	0.0002798	Pa×s	614.71	Joback Calculated Property
η	0.0002252	Pa×s	656.26	Joback Calculated Property
η	0.0001860	Pa×s	697.82	Joback Calculated Property
η	0.0001570	Pa×s	739.37	Joback Calculated Property
ΔfusH	[18.80; 18.80]	kJ/mol	[350.10; 350.10]
ΔfusH	18.80	kJ/mol	350.10	NIST
ΔfusH	18.80	kJ/mol	350.10	NIST
ΔsubH	92.70	kJ/mol	308.00	NIST
ΔvapH	[83.70; 86.40]	kJ/mol	[368.00; 398.00]
ΔvapH	86.40	kJ/mol	368.00	NIST
ΔvapH	83.70	kJ/mol	398.00	NIST

Similar Compounds

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

Sources

• Crippen Method
• Joback Method
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.