Chemical Properties of 2,2',4,4',5,6'-Hexachlorodiphenyl ether

InChI

InChI=1S/C12H4Cl6O/c13-5-1-9(17)12(10(18)2-5)19-11-4-7(15)6(14)3-8(11)16/h1-4H

InChI Key

XKQUAQGQLZDDBV-UHFFFAOYSA-N

Formula

C12H4Cl6O

SMILES

Clc1cc(Cl)c(Oc2cc(Cl)c(Cl)cc2Cl)c(Cl)c1

Molecular Weight¹

376.88

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[256.67; 451.25]	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			1.12810e+02
Coefficient B			6.06600e-01
Coefficient C			-3.00560e-04
Coefficient D			3.24000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	256.67	J/mol×K	273.00	Calculated Property
Cp,gas	291.23	J/mol×K	353.78	Calculated Property
Cp,gas	322.31	J/mol×K	434.56	Calculated Property
Cp,gas	350.03	J/mol×K	515.33	Calculated Property
Cp,gas	374.47	J/mol×K	596.11	Calculated Property
Cp,gas	395.75	J/mol×K	676.89	Calculated Property
Cp,gas	413.96	J/mol×K	757.67	Calculated Property
Cp,gas	429.22	J/mol×K	838.44	Calculated Property
Cp,gas	441.61	J/mol×K	919.22	Calculated Property
Cp,gas	451.25	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004031; 0.0001342]	Pa×s	[554.71; 749.25]	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			-1.20521e+01
Coefficient B			2.34965e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			554.71
Temperature range, max.			749.25
η	0.0004031	Pa×s	554.71	Calculated Property
η	0.0003439	Pa×s	576.33	Calculated Property
η	0.0002968	Pa×s	597.94	Calculated Property
η	0.0002588	Pa×s	619.56	Calculated Property
η	0.0002277	Pa×s	641.17	Calculated Property
η	0.0002021	Pa×s	662.79	Calculated Property
η	0.0001807	Pa×s	684.40	Calculated Property
η	0.0001626	Pa×s	706.02	Calculated Property
η	0.0001473	Pa×s	727.63	Calculated Property
η	0.0001342	Pa×s	749.25	Calculated Property

Similar Compounds

Find more compounds similar to 2,2',4,4',5,6'-Hexachlorodiphenyl 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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