Chemical Properties of Dimethylmalonic acid, nonyl 2,4,6-trichlorophenyl ester

InChI

InChI=1S/C20H27Cl3O4/c1-4-5-6-7-8-9-10-11-26-18(24)20(2,3)19(25)27-17-15(22)12-14(21)13-16(17)23/h12-13H,4-11H2,1-3H3

InChI Key

VDHDHRGOAHTHCN-UHFFFAOYSA-N

Formula

C20H27Cl3O4

SMILES

CCCCCCCCCOC(=O)C(C)(C)C(=O)Oc1c(Cl)cc(Cl)cc1Cl

Molecular Weight¹

437.79

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• 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 Pressure, Critical Volume, 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	[451.58; 966.00]	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			5.87180e+01
Coefficient B			1.68306e+00
Coefficient C			-9.38080e-04
Coefficient D			1.62300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	451.58	J/mol×K	273.00	Calculated Property
Cp,gas	543.92	J/mol×K	353.78	Calculated Property
Cp,gas	626.27	J/mol×K	434.56	Calculated Property
Cp,gas	699.14	J/mol×K	515.33	Calculated Property
Cp,gas	763.04	J/mol×K	596.11	Calculated Property
Cp,gas	818.49	J/mol×K	676.89	Calculated Property
Cp,gas	866.00	J/mol×K	757.67	Calculated Property
Cp,gas	906.07	J/mol×K	838.44	Calculated Property
Cp,gas	939.24	J/mol×K	919.22	Calculated Property
Cp,gas	966.00	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002735; 0.0000381]	Pa×s	[555.98; 798.55]	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			-1.46923e+01
Coefficient B			3.60722e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			555.98
Temperature range, max.			798.55
η	0.0002735	Pa×s	555.98	Calculated Property
η	0.0002026	Pa×s	582.93	Calculated Property
η	0.0001541	Pa×s	609.89	Calculated Property
η	0.0001200	Pa×s	636.84	Calculated Property
η	0.0000953	Pa×s	663.79	Calculated Property
η	0.0000771	Pa×s	690.74	Calculated Property
η	0.0000634	Pa×s	717.70	Calculated Property
η	0.0000528	Pa×s	744.65	Calculated Property
η	0.0000446	Pa×s	771.60	Calculated Property
η	0.0000381	Pa×s	798.55	Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, nonyl 2,4,6-trichlorophenyl 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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