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

InChI

InChI=1S/C14H24Cl2O4/c1-4-7-8-9-19-12(17)14(5-2,6-3)13(18)20-10-11(15)16/h11H,4-10H2,1-3H3

InChI Key

AWWOJXTUMZTEPW-UHFFFAOYSA-N

Formula

C14H24Cl2O4

SMILES

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

Molecular Weight¹

327.24

• 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	[360.18; 776.37]	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			4.06070e+01
Coefficient B			1.36956e+00
Coefficient C			-7.64400e-04
Coefficient D			1.30600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	360.18	J/mol×K	273.00	Calculated Property
Cp,gas	435.24	J/mol×K	353.78	Calculated Property
Cp,gas	502.13	J/mol×K	434.56	Calculated Property
Cp,gas	561.26	J/mol×K	515.33	Calculated Property
Cp,gas	613.05	J/mol×K	596.11	Calculated Property
Cp,gas	657.92	J/mol×K	676.89	Calculated Property
Cp,gas	696.27	J/mol×K	757.67	Calculated Property
Cp,gas	728.52	J/mol×K	838.44	Calculated Property
Cp,gas	755.08	J/mol×K	919.22	Calculated Property
Cp,gas	776.37	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0023707; 0.0001007]	Pa×s	[379.46; 627.96]	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			-1.40273e+01
Coefficient B			3.02912e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			379.46
Temperature range, max.			627.96
η	0.0023707	Pa×s	379.46	Calculated Property
η	0.0013795	Pa×s	407.07	Calculated Property
η	0.0008599	Pa×s	434.68	Calculated Property
η	0.0005671	Pa×s	462.29	Calculated Property
η	0.0003920	Pa×s	489.91	Calculated Property
η	0.0002819	Pa×s	517.52	Calculated Property
η	0.0002095	Pa×s	545.13	Calculated Property
η	0.0001603	Pa×s	572.74	Calculated Property
η	0.0001257	Pa×s	600.35	Calculated Property
η	0.0001007	Pa×s	627.96	Calculated Property

Similar Compounds

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

Sources

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

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