Chemical Properties of 2,2',4,4'-tetrachlorodiphenyl ether

InChI

InChI=1S/C12H6Cl4O/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6H

InChI Key

ZRWRPGGXCSSBAO-UHFFFAOYSA-N

Formula

C12H6Cl4O

SMILES

Clc1ccc(Oc2ccc(Cl)cc2Cl)c(Cl)c1

Molecular Weight¹

307.99

• 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	[224.76; 440.79]	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			5.84300e+01
Coefficient B			7.12000e-01
Coefficient C			-3.93840e-04
Coefficient D			6.42000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	224.76	J/mol×K	273.00	Calculated Property
Cp,gas	263.87	J/mol×K	353.78	Calculated Property
Cp,gas	298.73	J/mol×K	434.56	Calculated Property
Cp,gas	329.54	J/mol×K	515.33	Calculated Property
Cp,gas	356.51	J/mol×K	596.11	Calculated Property
Cp,gas	379.84	J/mol×K	676.89	Calculated Property
Cp,gas	399.72	J/mol×K	757.67	Calculated Property
Cp,gas	416.38	J/mol×K	838.44	Calculated Property
Cp,gas	430.00	J/mol×K	919.22	Calculated Property
Cp,gas	440.79	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006337; 0.0001534]	Pa×s	[469.83; 686.75]	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			-1.18539e+01
Coefficient B			2.10953e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			469.83
Temperature range, max.			686.75
η	0.0006337	Pa×s	469.83	Calculated Property
η	0.0005090	Pa×s	493.93	Calculated Property
η	0.0004173	Pa×s	518.04	Calculated Property
η	0.0003482	Pa×s	542.14	Calculated Property
η	0.0002950	Pa×s	566.24	Calculated Property
η	0.0002534	Pa×s	590.34	Calculated Property
η	0.0002203	Pa×s	614.45	Calculated Property
η	0.0001935	Pa×s	638.55	Calculated Property
η	0.0001716	Pa×s	662.65	Calculated Property
η	0.0001534	Pa×s	686.75	Calculated Property

Similar Compounds

Find more compounds similar to 2,2',4,4'-tetrachlorodiphenyl 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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