Chemical Properties of Diethylmalonic acid, di(2,4-dichloro-6-formylphenyl) ester

InChI

InChI=1S/C21H16Cl4O6/c1-3-21(4-2,19(28)30-17-11(9-26)5-13(22)7-15(17)24)20(29)31-18-12(10-27)6-14(23)8-16(18)25/h5-10H,3-4H2,1-2H3

InChI Key

GLBLHWHVXXTAHP-UHFFFAOYSA-N

Formula

C21H16Cl4O6

SMILES

CCC(CC)(C(=O)Oc1c(Cl)cc(Cl)cc1C=O)C(=O)Oc1c(Cl)cc(Cl)cc1C=O

Molecular Weight¹

506.16

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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, Log10 of Water solubility in mol/l 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	[446.42; 879.77]	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			1.02492e+02
Coefficient B			1.47644e+00
Coefficient C			-8.28960e-04
Coefficient D			1.29800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	446.42	J/mol×K	273.00	Calculated Property
Cp,gas	526.82	J/mol×K	353.78	Calculated Property
Cp,gas	598.20	J/mol×K	434.56	Calculated Property
Cp,gas	660.97	J/mol×K	515.33	Calculated Property
Cp,gas	715.54	J/mol×K	596.11	Calculated Property
Cp,gas	762.32	J/mol×K	676.89	Calculated Property
Cp,gas	801.73	J/mol×K	757.67	Calculated Property
Cp,gas	834.16	J/mol×K	838.44	Calculated Property
Cp,gas	860.04	J/mol×K	919.22	Calculated Property
Cp,gas	879.77	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001142; 0.0000321]	Pa×s	[745.15; 965.69]	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			-1.46301e+01
Coefficient B			4.13760e+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.			745.15
Temperature range, max.			965.69
η	0.0001142	Pa×s	745.15	Calculated Property
η	0.0000957	Pa×s	769.65	Calculated Property
η	0.0000811	Pa×s	794.16	Calculated Property
η	0.0000694	Pa×s	818.66	Calculated Property
η	0.0000599	Pa×s	843.17	Calculated Property
η	0.0000521	Pa×s	867.67	Calculated Property
η	0.0000457	Pa×s	892.18	Calculated Property
η	0.0000404	Pa×s	916.68	Calculated Property
η	0.0000359	Pa×s	941.18	Calculated Property
η	0.0000321	Pa×s	965.69	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, di(2,4-dichloro-6-formylphenyl) ester.

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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