Chemical Properties of Diethylmalonic acid, 2,3-dichlorophenyl dodecyl ester

InChI

InChI=1S/C25H38Cl2O4/c1-4-7-8-9-10-11-12-13-14-15-19-30-23(28)25(5-2,6-3)24(29)31-21-18-16-17-20(26)22(21)27/h16-18H,4-15,19H2,1-3H3

InChI Key

KKCOBXBFIRKSDE-UHFFFAOYSA-N

Formula

C25H38Cl2O4

SMILES

CCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1cccc(Cl)c1Cl

Molecular Weight¹

473.47

• 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).
• 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, 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	[541.69; 1218.72]	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			2.69830e+01
Coefficient B			2.21076e+00
Coefficient C			-1.25672e-03
Coefficient D			2.37700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	541.69	J/mol×K	273.00	Calculated Property
Cp,gas	662.34	J/mol×K	353.78	Calculated Property
Cp,gas	769.87	J/mol×K	434.56	Calculated Property
Cp,gas	865.05	J/mol×K	515.33	Calculated Property
Cp,gas	948.62	J/mol×K	596.11	Calculated Property
Cp,gas	1021.34	J/mol×K	676.89	Calculated Property
Cp,gas	1083.96	J/mol×K	757.67	Calculated Property
Cp,gas	1137.23	J/mol×K	838.44	Calculated Property
Cp,gas	1181.90	J/mol×K	919.22	Calculated Property
Cp,gas	1218.72	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002110; 0.0000209]	Pa×s	[569.89; 853.84]	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			-1.54089e+01
Coefficient B			3.95796e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			569.89
Temperature range, max.			853.84
η	0.0002110	Pa×s	569.89	Calculated Property
η	0.0001466	Pa×s	601.44	Calculated Property
η	0.0001056	Pa×s	632.99	Calculated Property
η	0.0000785	Pa×s	664.54	Calculated Property
η	0.0000599	Pa×s	696.09	Calculated Property
η	0.0000468	Pa×s	727.64	Calculated Property
η	0.0000373	Pa×s	759.19	Calculated Property
η	0.0000303	Pa×s	790.74	Calculated Property
η	0.0000250	Pa×s	822.29	Calculated Property
η	0.0000209	Pa×s	853.84	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 2,3-dichlorophenyl dodecyl ester.

Sources

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

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