Chemical Properties of 1,1'-Biphenyl, 2,3',4,4'-tetrachloro- (CAS 32598-10-0)

InChI

InChI=1S/C12H6Cl4/c13-8-2-3-9(11(15)6-8)7-1-4-10(14)12(16)5-7/h1-6H

InChI Key

RKLLTEAEZIJBAU-UHFFFAOYSA-N

Formula

C12H6Cl4

SMILES

Clc1ccc(-c2ccc(Cl)c(Cl)c2)c(Cl)c1

Molecular Weight¹

291.99

CAS

32598-10-0

Other Names

• 1,2-dichloro-4-(2,4-dichlorophenyl)benzene
• 2,3',4,4'-Tetrachloro-1,1'-biphenyl
• 2,3',4,4'-Tetrachlorobiphenyl
• 2,4,3',4'-TCB
• 2,4,3',4'-Tetrachlorobiphenyl
• 3,4,2',4'-Tetrachlorobiphenyl
• Biphenyl, 2,3',4,4'-tetrachloro-
• PCB 66

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (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).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[368.32; 417.63]	J/mol×K	[697.16; 963.63]
Cp,gas	368.32	J/mol×K	697.16	Joback Calculated Property
Cp,gas	378.70	J/mol×K	741.57	Joback Calculated Property
Cp,gas	388.13	J/mol×K	785.98	Joback Calculated Property
Cp,gas	396.68	J/mol×K	830.39	Joback Calculated Property
Cp,gas	404.40	J/mol×K	874.80	Joback Calculated Property
Cp,gas	411.36	J/mol×K	919.21	Joback Calculated Property
Cp,gas	417.63	J/mol×K	963.63	Joback Calculated Property
η	[0.0001716; 0.0008409]	Pa×s	[447.60; 697.16]
η	0.0008409	Pa×s	447.60	Joback Calculated Property
η	0.0005765	Pa×s	489.19	Joback Calculated Property
η	0.0004193	Pa×s	530.79	Joback Calculated Property
η	0.0003194	Pa×s	572.38	Joback Calculated Property
η	0.0002525	Pa×s	613.97	Joback Calculated Property
η	0.0002056	Pa×s	655.57	Joback Calculated Property
η	0.0001716	Pa×s	697.16	Joback Calculated Property
ΔsubH	105.90 ± 2.50	kJ/mol	360.50	NIST
ΔvapH	83.30	kJ/mol	370.50	NIST

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Joback Method
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook

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