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

InChI

InChI=1S/C20H36Cl2O4/c1-4-7-8-9-10-11-12-13-14-15-25-18(23)20(5-2,6-3)19(24)26-16-17(21)22/h17H,4-16H2,1-3H3

InChI Key

RJRYMDYPGVFYFD-UHFFFAOYSA-N

Formula

C20H36Cl2O4

SMILES

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

Molecular Weight¹

411.41

• 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	[487.47; 1085.91]	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			3.51530e+01
Coefficient B			1.93956e+00
Coefficient C			-1.09080e-03
Coefficient D			2.02000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	487.47	J/mol×K	273.00	Calculated Property
Cp,gas	593.75	J/mol×K	353.78	Calculated Property
Cp,gas	688.59	J/mol×K	434.56	Calculated Property
Cp,gas	772.64	J/mol×K	515.33	Calculated Property
Cp,gas	846.52	J/mol×K	596.11	Calculated Property
Cp,gas	910.89	J/mol×K	676.89	Calculated Property
Cp,gas	966.37	J/mol×K	757.67	Calculated Property
Cp,gas	1013.61	J/mol×K	838.44	Calculated Property
Cp,gas	1053.24	J/mol×K	919.22	Calculated Property
Cp,gas	1085.91	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009554; 0.0000434]	Pa×s	[447.08; 726.63]	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			-1.49924e+01
Coefficient B			3.59408e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			447.08
Temperature range, max.			726.63
η	0.0009554	Pa×s	447.08	Calculated Property
η	0.0005667	Pa×s	478.14	Calculated Property
η	0.0003583	Pa×s	509.20	Calculated Property
η	0.0002388	Pa×s	540.26	Calculated Property
η	0.0001663	Pa×s	571.32	Calculated Property
η	0.0001202	Pa×s	602.39	Calculated Property
η	0.0000897	Pa×s	633.45	Calculated Property
η	0.0000688	Pa×s	664.51	Calculated Property
η	0.0000541	Pa×s	695.57	Calculated Property
η	0.0000434	Pa×s	726.63	Calculated Property

Similar Compounds

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

Sources

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

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