Chemical Properties of 1,1'-Biphenyl, 2,3,4,4'-tetrachloro- (CAS 33025-41-1)

InChI

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

InChI Key

XLDBTRJKXLKYTC-UHFFFAOYSA-N

Formula

C12H6Cl4

SMILES

Clc1ccc(-c2ccc(Cl)c(Cl)c2Cl)cc1

Molecular Weight¹

291.99

CAS

33025-41-1

Other Names

• 2,3,4,4'-Tetrachloro-1,1'-biphenyl
• 2,3,4,4'-Tetrachlorobiphenyl
• PCB 60

• 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_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).
• I_np : Non-polar retention indices.
• 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

Property	Value	Unit	Source
ΔfH°gas	88.25	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	30.15	kJ/mol	Joback Calculated Property
ΔvapH°	94.00	kJ/mol	Relay (1.0) Calculated Property
IE	8.33	eV	Relay (1.0) Calculated Property
log10WS	-7.05		Relay (1.0) Calculated Property
logPoct/wat	5.967		Crippen Calculated Property
McVol	181.380	ml/mol	McGowan Calculated Property
Inp	[2113.00; 2122.00]
Inp	2120.00		NIST
Inp	2122.00		NIST
Inp	2122.00		NIST
Inp	Outlier 2113.00		NIST
Inp	2122.00		NIST
Inp	2120.00		NIST
Tboil	631.81	K	Relay (1.0) Calculated Property
Tfus	356.06	K	Relay (1.0) Calculated Property

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

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