Chemical Properties of 1,1'-Biphenyl, 2,3,4,5-tetrachloro- (CAS 33284-53-6)

InChI

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

InChI Key

HLQDGCWIOSOMDP-UHFFFAOYSA-N

Formula

C12H6Cl4

SMILES

Clc1cc(-c2ccccc2)c(Cl)c(Cl)c1Cl

Molecular Weight¹

291.99

CAS

33284-53-6

Other Names

• 1,2,3,4-tetrachloro-5-phenylbenzene
• 2,3,4,5-Tetrachloro-1,1'-biphenyl
• 2,3,4,5-Tetrachlorobiphenyl
• Biphenyl, 2,3,4,5-tetrachloro-
• PCB 61

• ω : Acentric Factor.
• 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_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).
• 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).
• 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
ω	0.4852		Relay (1.0) Calculated Property
ΔfH°gas	120.73	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	30.15	kJ/mol	Joback Calculated Property
ΔvapH°	90.44	kJ/mol	Relay (1.0) Calculated Property
IE	8.40	eV	Relay (1.0) Calculated Property
log10WS	-7.16		Aq. Solubility Prediction
logPoct/wat	5.967		Crippen Calculated Property
McVol	181.380	ml/mol	McGowan Calculated Property
Pc	2724.01	kPa	Joback Calculated Property
Inp	[1982.00; 1982.00]
Inp	1982.00		NIST
Inp	1982.00		NIST
Inp	1982.00		NIST
Tboil	632.62	K	Relay (1.0) Calculated Property
Tc	899.16	K	Relay (1.0) Calculated Property
Tfus	363.90 ± 0.20	K	NIST
Vc	0.662	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it 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
ΔfusH	[25.20; 25.20]	kJ/mol	[363.90; 363.90]
ΔfusH	25.20	kJ/mol	363.90	NIST
ΔfusH	25.20	kJ/mol	363.90	NIST
ΔsubH	88.70 ± 1.20	kJ/mol	323.00	NIST

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Joback Method
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook

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