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

InChI

InChI=1S/C13H22Cl2O4/c1-5-13(6-2,11(16)18-7-9(3)4)12(17)19-8-10(14)15/h9-10H,5-8H2,1-4H3

InChI Key

LYELDPWCLCIULJ-UHFFFAOYSA-N

Formula

C13H22Cl2O4

SMILES

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

Molecular Weight¹

313.22

• ω : Acentric Factor.
• 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).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[338.66; 725.31]	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			3.98340e+01
Coefficient B			1.28048e+00
Coefficient C			-7.13200e-04
Coefficient D			1.18200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	338.66	J/mol×K	273.00	Calculated Property
Cp,gas	408.81	J/mol×K	353.78	Calculated Property
Cp,gas	471.29	J/mol×K	434.56	Calculated Property
Cp,gas	526.48	J/mol×K	515.33	Calculated Property
Cp,gas	574.75	J/mol×K	596.11	Calculated Property
Cp,gas	616.46	J/mol×K	676.89	Calculated Property
Cp,gas	652.00	J/mol×K	757.67	Calculated Property
Cp,gas	681.74	J/mol×K	838.44	Calculated Property
Cp,gas	706.06	J/mol×K	919.22	Calculated Property
Cp,gas	725.31	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0037382; 0.0001042]	Pa×s	[353.19; 614.65]	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			-1.40061e+01
Coefficient B			2.97278e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			353.19
Temperature range, max.			614.65
η	0.0037382	Pa×s	353.19	Calculated Property
η	0.0019717	Pa×s	382.24	Calculated Property
η	0.0011384	Pa×s	411.29	Calculated Property
η	0.0007066	Pa×s	440.34	Calculated Property
η	0.0004653	Pa×s	469.39	Calculated Property
η	0.0003217	Pa×s	498.44	Calculated Property
η	0.0002316	Pa×s	527.49	Calculated Property
η	0.0001726	Pa×s	556.54	Calculated Property
η	0.0001324	Pa×s	585.59	Calculated Property
η	0.0001042	Pa×s	614.65	Calculated Property

Similar Compounds

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

Sources

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

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