Chemical Properties of 1,1'-Biphenyl, 2,2',6,6'-tetrachloro-

InChI

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

InChI Key

PXAGFNRKXSYIHU-UHFFFAOYSA-N

Formula

C12H6Cl4

SMILES

Clc1cccc(Cl)c1-c1c(Cl)cccc1Cl

Molecular Weight¹

291.99

Other Names

• 1,3-dichloro-2-(2,6-dichlorophenyl)benzene
• 2,2',6,6'-PCB
• 2,2',6,6'-Tetrachloro-1,1'-biphenyl
• 2,2',6,6'-Tetrachlorobiphenyl
• 2,6,2',6'-Tetrachlorobiphenyl
• Biphenyl, 2,2',6,6'-tetrachloro-
• PCB 54

• ω : Acentric Factor.
• 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).
• 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	0.4904		Relay (1.0) Calculated Property
ΔfG°	188.74	kJ/mol	Joback Calculated Property
ΔfH°gas	110.50	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	30.15	kJ/mol	Joback Calculated Property
ΔvapH°	82.42	kJ/mol	Relay (1.0) Calculated Property
IE	8.51	eV	Relay (1.0) Calculated Property
log10WS	[-7.60; -7.39]
log10WS	-7.60		Aq. Solubility Prediction
log10WS	-7.39		Estimated Solubility
logPoct/wat	5.967		Crippen Calculated Property
McVol	181.380	ml/mol	McGowan Calculated Property
Pc	2724.01	kPa	Joback Calculated Property
Inp	[1787.00; 1833.10]
Inp	1826.00		NIST
Inp	1789.00		NIST
Inp	1789.00		NIST
Inp	1811.80		NIST
Inp	1822.30		NIST
Inp	1833.10		NIST
Inp	1787.00		NIST
Inp	1826.00		NIST
Inp	1833.10		NIST
Tboil	591.15	K	Relay (1.0) Calculated Property
Tc	875.59	K	Relay (1.0) Calculated Property
Tfus	387.76	K	Relay (1.0) Calculated Property
Vc	0.651	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[368.27; 417.60]	J/mol×K	[696.96; 963.35]
Cp,gas	368.27	J/mol×K	696.96	Joback Calculated Property
Cp,gas	378.65	J/mol×K	741.36	Joback Calculated Property
Cp,gas	388.08	J/mol×K	785.76	Joback Calculated Property
Cp,gas	396.63	J/mol×K	830.15	Joback Calculated Property
Cp,gas	404.36	J/mol×K	874.55	Joback Calculated Property
Cp,gas	411.33	J/mol×K	918.95	Joback Calculated Property
Cp,gas	417.60	J/mol×K	963.35	Joback Calculated Property
η	[0.0001717; 0.0008409]	Pa×s	[447.60; 696.96]
η	0.0008409	Pa×s	447.60	Joback Calculated Property
η	0.0005766	Pa×s	489.16	Joback Calculated Property
η	0.0004195	Pa×s	530.72	Joback Calculated Property
η	0.0003196	Pa×s	572.28	Joback Calculated Property
η	0.0002526	Pa×s	613.84	Joback Calculated Property
η	0.0002057	Pa×s	655.40	Joback Calculated Property
η	0.0001717	Pa×s	696.96	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,1'-Biphenyl, 2,2',6,6'-tetrachloro-.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.