Chemical Properties of 2,3,3',4,4'-pentachlorodiphenyl ether

InChI

InChI=1S/C12H5Cl5O/c13-7-2-1-6(5-9(7)15)18-10-4-3-8(14)11(16)12(10)17/h1-5H

InChI Key

PKEGIXYNAGGYPN-UHFFFAOYSA-N

Formula

C12H5Cl5O

SMILES

Clc1ccc(Oc2ccc(Cl)c(Cl)c2Cl)cc1Cl

Molecular Weight¹

342.44

• 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	[240.72; 446.02]	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			8.56200e+01
Coefficient B			6.59300e-01
Coefficient C			-3.47200e-04
Coefficient D			4.83000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	240.72	J/mol×K	273.00	Calculated Property
Cp,gas	277.55	J/mol×K	353.78	Calculated Property
Cp,gas	310.52	J/mol×K	434.56	Calculated Property
Cp,gas	339.78	J/mol×K	515.33	Calculated Property
Cp,gas	365.49	J/mol×K	596.11	Calculated Property
Cp,gas	387.79	J/mol×K	676.89	Calculated Property
Cp,gas	406.84	J/mol×K	757.67	Calculated Property
Cp,gas	422.80	J/mol×K	838.44	Calculated Property
Cp,gas	435.81	J/mol×K	919.22	Calculated Property
Cp,gas	446.02	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005027; 0.0001444]	Pa×s	[512.27; 718.12]	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			-1.19479e+01
Coefficient B			2.22959e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			512.27
Temperature range, max.			718.12
η	0.0005027	Pa×s	512.27	Calculated Property
η	0.0004174	Pa×s	535.14	Calculated Property
η	0.0003518	Pa×s	558.01	Calculated Property
η	0.0003006	Pa×s	580.89	Calculated Property
η	0.0002599	Pa×s	603.76	Calculated Property
η	0.0002272	Pa×s	626.63	Calculated Property
η	0.0002004	Pa×s	649.50	Calculated Property
η	0.0001783	Pa×s	672.37	Calculated Property
η	0.0001599	Pa×s	695.24	Calculated Property
η	0.0001444	Pa×s	718.12	Calculated Property

Similar Compounds

Find more compounds similar to 2,3,3',4,4'-pentachlorodiphenyl ether.

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

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