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

InChI

InChI=1S/C19H12Cl4O6/c1-19(2,17(26)28-15-9(7-24)3-11(20)5-13(15)22)18(27)29-16-10(8-25)4-12(21)6-14(16)23/h3-8H,1-2H3

InChI Key

PNGYCDPOVQCQFZ-UHFFFAOYSA-N

Formula

C19H12Cl4O6

SMILES

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

Molecular Weight¹

478.11

• 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	[403.99; 776.59]	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			1.04310e+02
Coefficient B			1.28644e+00
Coefficient C			-7.20160e-04
Coefficient D			1.06000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	403.99	J/mol×K	273.00	Calculated Property
Cp,gas	473.98	J/mol×K	353.78	Calculated Property
Cp,gas	536.04	J/mol×K	434.56	Calculated Property
Cp,gas	590.51	J/mol×K	515.33	Calculated Property
Cp,gas	637.72	J/mol×K	596.11	Calculated Property
Cp,gas	678.00	J/mol×K	676.89	Calculated Property
Cp,gas	711.69	J/mol×K	757.67	Calculated Property
Cp,gas	739.13	J/mol×K	838.44	Calculated Property
Cp,gas	760.65	J/mol×K	919.22	Calculated Property
Cp,gas	776.59	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001472; 0.0000431]	Pa×s	[722.61; 932.20]	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			-1.42892e+01
Coefficient B			3.94928e+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.			722.61
Temperature range, max.			932.20
η	0.0001472	Pa×s	722.61	Calculated Property
η	0.0001241	Pa×s	745.90	Calculated Property
η	0.0001057	Pa×s	769.19	Calculated Property
η	0.0000909	Pa×s	792.47	Calculated Property
η	0.0000789	Pa×s	815.76	Calculated Property
η	0.0000689	Pa×s	839.05	Calculated Property
η	0.0000607	Pa×s	862.34	Calculated Property
η	0.0000538	Pa×s	885.62	Calculated Property
η	0.0000480	Pa×s	908.91	Calculated Property
η	0.0000431	Pa×s	932.20	Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic 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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