Chemical Properties of Diethylmalonic acid, ethyl 2,2,2-trichloroethyl ester

InChI

InChI=1S/C11H17Cl3O4/c1-4-10(5-2,8(15)17-6-3)9(16)18-7-11(12,13)14/h4-7H2,1-3H3

InChI Key

ICDBZPXXABQWIL-UHFFFAOYSA-N

Formula

C11H17Cl3O4

SMILES

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

Molecular Weight¹

319.61

• 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).
• IE : Ionization energy (eV).
• 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, 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	[308.80; 630.79]	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			3.34340e+01
Coefficient B			1.21126e+00
Coefficient C			-7.90200e-04
Coefficient D			1.76300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	308.80	J/mol×K	273.00	Calculated Property
Cp,gas	370.86	J/mol×K	353.78	Calculated Property
Cp,gas	425.04	J/mol×K	434.56	Calculated Property
Cp,gas	471.91	J/mol×K	515.33	Calculated Property
Cp,gas	512.03	J/mol×K	596.11	Calculated Property
Cp,gas	545.95	J/mol×K	676.89	Calculated Property
Cp,gas	574.22	J/mol×K	757.67	Calculated Property
Cp,gas	597.42	J/mol×K	838.44	Calculated Property
Cp,gas	616.09	J/mol×K	919.22	Calculated Property
Cp,gas	630.79	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0020152; 0.0001148]	Pa×s	[392.99; 614.83]	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			-1.41479e+01
Coefficient B			3.12068e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			392.99
Temperature range, max.			614.83
η	0.0020152	Pa×s	392.99	Calculated Property
η	0.0012612	Pa×s	417.64	Calculated Property
η	0.0008316	Pa×s	442.29	Calculated Property
η	0.0005730	Pa×s	466.94	Calculated Property
η	0.0004099	Pa×s	491.59	Calculated Property
η	0.0003027	Pa×s	516.23	Calculated Property
η	0.0002298	Pa×s	540.88	Calculated Property
η	0.0001787	Pa×s	565.53	Calculated Property
η	0.0001419	Pa×s	590.18	Calculated Property
η	0.0001148	Pa×s	614.83	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, ethyl 2,2,2-trichloroethyl 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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