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

InChI

InChI=1S/C19H26Cl2O4/c1-4-7-8-9-13-24-17(22)19(5-2,6-3)18(23)25-15-12-10-11-14(20)16(15)21/h10-12H,4-9,13H2,1-3H3

InChI Key

GGUKEIOIKSYWAE-UHFFFAOYSA-N

Formula

C19H26Cl2O4

SMILES

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

Molecular Weight¹

389.31

• 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	[414.41; 909.18]	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			3.24370e+01
Coefficient B			1.64076e+00
Coefficient C			-9.30320e-04
Coefficient D			1.66300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	414.41	J/mol×K	273.00	Calculated Property
Cp,gas	503.83	J/mol×K	353.78	Calculated Property
Cp,gas	583.40	J/mol×K	434.56	Calculated Property
Cp,gas	653.67	J/mol×K	515.33	Calculated Property
Cp,gas	715.15	J/mol×K	596.11	Calculated Property
Cp,gas	768.37	J/mol×K	676.89	Calculated Property
Cp,gas	813.86	J/mol×K	757.67	Calculated Property
Cp,gas	852.14	J/mol×K	838.44	Calculated Property
Cp,gas	883.74	J/mol×K	919.22	Calculated Property
Cp,gas	909.18	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004735; 0.0000513]	Pa×s	[502.27; 748.62]	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			-1.44106e+01
Coefficient B			3.39300e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			502.27
Temperature range, max.			748.62
η	0.0004735	Pa×s	502.27	Calculated Property
η	0.0003340	Pa×s	529.64	Calculated Property
η	0.0002438	Pa×s	557.02	Calculated Property
η	0.0001833	Pa×s	584.39	Calculated Property
η	0.0001413	Pa×s	611.76	Calculated Property
η	0.0001115	Pa×s	639.13	Calculated Property
η	0.0000896	Pa×s	666.51	Calculated Property
η	0.0000733	Pa×s	693.88	Calculated Property
η	0.0000609	Pa×s	721.25	Calculated Property
η	0.0000513	Pa×s	748.62	Calculated Property

Similar Compounds

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

Sources

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

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