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

InChI

InChI=1S/C19H34Cl2O4/c1-4-7-8-9-10-11-12-13-14-24-17(22)19(5-2,6-3)18(23)25-15-16(20)21/h16H,4-15H2,1-3H3

InChI Key

LUNVSCDJSHOPAF-UHFFFAOYSA-N

Formula

C19H34Cl2O4

SMILES

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

Molecular Weight¹

397.38

• 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	[466.25; 1034.32]	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			3.60620e+01
Coefficient B			1.84456e+00
Coefficient C			-1.03640e-03
Coefficient D			1.90100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	466.25	J/mol×K	273.00	Calculated Property
Cp,gas	567.33	J/mol×K	353.78	Calculated Property
Cp,gas	657.51	J/mol×K	434.56	Calculated Property
Cp,gas	737.41	J/mol×K	515.33	Calculated Property
Cp,gas	807.61	J/mol×K	596.11	Calculated Property
Cp,gas	868.72	J/mol×K	676.89	Calculated Property
Cp,gas	921.35	J/mol×K	757.67	Calculated Property
Cp,gas	966.09	J/mol×K	838.44	Calculated Property
Cp,gas	1003.55	J/mol×K	919.22	Calculated Property
Cp,gas	1034.32	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0011168; 0.0000506]	Pa×s	[435.81; 709.05]	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			-1.48281e+01
Coefficient B			3.49992e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			435.81
Temperature range, max.			709.05
η	0.0011168	Pa×s	435.81	Calculated Property
η	0.0006620	Pa×s	466.17	Calculated Property
η	0.0004183	Pa×s	496.53	Calculated Property
η	0.0002787	Pa×s	526.89	Calculated Property
η	0.0001941	Pa×s	557.25	Calculated Property
η	0.0001403	Pa×s	587.61	Calculated Property
η	0.0001047	Pa×s	617.97	Calculated Property
η	0.0000803	Pa×s	648.33	Calculated Property
η	0.0000631	Pa×s	678.69	Calculated Property
η	0.0000506	Pa×s	709.05	Calculated Property

Similar Compounds

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

Sources

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

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