Chemical Properties of 1,1'-Biphenyl, 2,3,3',4,4',5,6-Heptachloro- (CAS 41411-64-7)

InChI

InChI=1S/C12H3Cl7/c13-5-2-1-4(3-6(5)14)7-8(15)10(17)12(19)11(18)9(7)16/h1-3H

InChI Key

TYEDCFVCFDKSBK-UHFFFAOYSA-N

Formula

C12H3Cl7

SMILES

Clc1ccc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)cc1Cl

Molecular Weight¹

395.32

CAS

41411-64-7

Other Names

• 2,3,3',4,4',5,6-Heptachloro-1,1'-biphenyl
• 2,3,3',4,4',5,6-Heptachlorobiphenyl
• PCB 190

• 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).
• 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[257.22; 437.98]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			1.14500e+02
Coefficient B			6.17100e-01
Coefficient C			-3.64920e-04
Coefficient D			7.13000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	257.22	J/mol×K	273.00	Calculated Property
Cp,gas	290.30	J/mol×K	353.78	Calculated Property
Cp,gas	319.60	J/mol×K	434.56	Calculated Property
Cp,gas	345.36	J/mol×K	515.33	Calculated Property
Cp,gas	367.79	J/mol×K	596.11	Calculated Property
Cp,gas	387.12	J/mol×K	676.89	Calculated Property
Cp,gas	403.58	J/mol×K	757.67	Calculated Property
Cp,gas	417.39	J/mol×K	838.44	Calculated Property
Cp,gas	428.79	J/mol×K	919.22	Calculated Property
Cp,gas	437.98	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004373; 0.0001567]	Pa×s	[574.92; 767.97]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.18183e+01
Coefficient B			2.34762e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			574.92
Temperature range, max.			767.97
η	0.0004373	Pa×s	574.92	Calculated Property
η	0.0003776	Pa×s	596.37	Calculated Property
η	0.0003293	Pa×s	617.82	Calculated Property
η	0.0002899	Pa×s	639.27	Calculated Property
η	0.0002573	Pa×s	660.72	Calculated Property
η	0.0002301	Pa×s	682.17	Calculated Property
η	0.0002072	Pa×s	703.62	Calculated Property
η	0.0001877	Pa×s	725.07	Calculated Property
η	0.0001711	Pa×s	746.52	Calculated Property
η	0.0001567	Pa×s	767.97	Calculated Property

Similar Compounds

Find more compounds similar to 1,1'-Biphenyl, 2,3,3',4,4',5,6-Heptachloro-.

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

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