Chemical Properties of Diethylmalonic acid, 2,2-dichloroethyl tetradecyl ester

InChI

InChI=1S/C23H42Cl2O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-28-21(26)23(5-2,6-3)22(27)29-19-20(24)25/h20H,4-19H2,1-3H3

InChI Key

HKRLEKGIESRQBC-UHFFFAOYSA-N

Formula

C23H42Cl2O4

SMILES

CCCCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)OCC(Cl)Cl

Molecular Weight¹

453.48

• 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).
• 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_c : Critical 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 Volume, 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	[551.11; 1240.69]	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			3.24260e+01
Coefficient B			2.22456e+00
Coefficient C			-1.25400e-03
Coefficient D			2.37700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	551.11	J/mol×K	273.00	Calculated Property
Cp,gas	673.00	J/mol×K	353.78	Calculated Property
Cp,gas	781.82	J/mol×K	434.56	Calculated Property
Cp,gas	878.32	J/mol×K	515.33	Calculated Property
Cp,gas	963.26	J/mol×K	596.11	Calculated Property
Cp,gas	1037.37	J/mol×K	676.89	Calculated Property
Cp,gas	1101.42	J/mol×K	757.67	Calculated Property
Cp,gas	1156.15	J/mol×K	838.44	Calculated Property
Cp,gas	1202.32	J/mol×K	919.22	Calculated Property
Cp,gas	1240.69	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005927; 0.0000265]	Pa×s	[480.89; 782.85]	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			-1.54920e+01
Coefficient B			3.87656e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			480.89
Temperature range, max.			782.85
η	0.0005927	Pa×s	480.89	Calculated Property
η	0.0003504	Pa×s	514.44	Calculated Property
η	0.0002209	Pa×s	547.99	Calculated Property
η	0.0001469	Pa×s	581.54	Calculated Property
η	0.0001021	Pa×s	615.09	Calculated Property
η	0.0000737	Pa×s	648.64	Calculated Property
η	0.0000549	Pa×s	682.19	Calculated Property
η	0.0000421	Pa×s	715.75	Calculated Property
η	0.0000330	Pa×s	749.30	Calculated Property
η	0.0000265	Pa×s	782.85	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 2,2-dichloroethyl tetradecyl ester.

Sources

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

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