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

InChI

InChI=1S/C22H40Cl2O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-27-20(25)22(5-2,6-3)21(26)28-18-19(23)24/h19H,4-18H2,1-3H3

InChI Key

GDWDGYJVSHNOFN-UHFFFAOYSA-N

Formula

C22H40Cl2O4

SMILES

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

Molecular Weight¹

439.46

• 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	[529.89; 1189.10]	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			3.33350e+01
Coefficient B			2.12956e+00
Coefficient C			-1.19960e-03
Coefficient D			2.25800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	529.89	J/mol×K	273.00	Calculated Property
Cp,gas	646.58	J/mol×K	353.78	Calculated Property
Cp,gas	750.75	J/mol×K	434.56	Calculated Property
Cp,gas	843.09	J/mol×K	515.33	Calculated Property
Cp,gas	924.34	J/mol×K	596.11	Calculated Property
Cp,gas	995.21	J/mol×K	676.89	Calculated Property
Cp,gas	1056.40	J/mol×K	757.67	Calculated Property
Cp,gas	1108.64	J/mol×K	838.44	Calculated Property
Cp,gas	1152.63	J/mol×K	919.22	Calculated Property
Cp,gas	1189.09	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006959; 0.0000313]	Pa×s	[469.62; 763.48]	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			-1.53244e+01
Coefficient B			3.78240e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			469.62
Temperature range, max.			763.48
η	0.0006959	Pa×s	469.62	Calculated Property
η	0.0004123	Pa×s	502.27	Calculated Property
η	0.0002603	Pa×s	534.92	Calculated Property
η	0.0001733	Pa×s	567.57	Calculated Property
η	0.0001206	Pa×s	600.23	Calculated Property
η	0.0000871	Pa×s	632.88	Calculated Property
η	0.0000650	Pa×s	665.53	Calculated Property
η	0.0000498	Pa×s	698.18	Calculated Property
η	0.0000391	Pa×s	730.83	Calculated Property
η	0.0000313	Pa×s	763.48	Calculated Property

Similar Compounds

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

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.