Chemical Properties of Phthalic acid, di(2,4,6-trichlorobenzyl) ester

InChI

InChI=1S/C22H12Cl6O4/c23-11-5-17(25)15(18(26)6-11)9-31-21(29)13-3-1-2-4-14(13)22(30)32-10-16-19(27)7-12(24)8-20(16)28/h1-8H,9-10H2

InChI Key

XQNLRWJXCKJBAO-UHFFFAOYSA-N

Formula

C22H12Cl6O4

SMILES

O=C(OCc1c(Cl)cc(Cl)cc1Cl)c1ccccc1C(=O)OCc1c(Cl)cc(Cl)cc1Cl

Molecular Weight¹

553.05

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• 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

Cheméo can also estimate Critical Temperature, Critical Volume, 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	[431.37; 843.31]	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			1.09432e+02
Coefficient B			1.37180e+00
Coefficient C			-7.30520e-04
Coefficient D			9.26000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	431.37	J/mol×K	273.00	Calculated Property
Cp,gas	507.41	J/mol×K	353.78	Calculated Property
Cp,gas	575.20	J/mol×K	434.56	Calculated Property
Cp,gas	635.04	J/mol×K	515.33	Calculated Property
Cp,gas	687.20	J/mol×K	596.11	Calculated Property
Cp,gas	732.00	J/mol×K	676.89	Calculated Property
Cp,gas	769.71	J/mol×K	757.67	Calculated Property
Cp,gas	800.64	J/mol×K	838.44	Calculated Property
Cp,gas	825.08	J/mol×K	919.22	Calculated Property
Cp,gas	843.31	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000761; 0.0000233]	Pa×s	[768.78; 1000.40]	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			-1.45965e+01
Coefficient B			3.93076e+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.			768.78
Temperature range, max.			1000.40
η	0.0000761	Pa×s	768.78	Calculated Property
η	0.0000645	Pa×s	794.52	Calculated Property
η	0.0000552	Pa×s	820.25	Calculated Property
η	0.0000477	Pa×s	845.99	Calculated Property
η	0.0000416	Pa×s	871.72	Calculated Property
η	0.0000366	Pa×s	897.46	Calculated Property
η	0.0000324	Pa×s	923.19	Calculated Property
η	0.0000288	Pa×s	948.93	Calculated Property
η	0.0000258	Pa×s	974.66	Calculated Property
η	0.0000233	Pa×s	1000.40	Calculated Property

Similar Compounds

Find more compounds similar to Phthalic acid, di(2,4,6-trichlorobenzyl) ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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