Chemical Properties of Diethylmalonic acid, 2,6-dichlorophenyl heptyl ester

InChI

InChI=1S/C20H28Cl2O4/c1-4-7-8-9-10-14-25-18(23)20(5-2,6-3)19(24)26-17-15(21)12-11-13-16(17)22/h11-13H,4-10,14H2,1-3H3

InChI Key

JWLPFRGZWPHAGR-UHFFFAOYSA-N

Formula

C20H28Cl2O4

SMILES

CCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1c(Cl)cccc1Cl

Molecular Weight¹

403.35

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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	[435.63; 960.77]	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			3.15280e+01
Coefficient B			1.73576e+00
Coefficient C			-9.84720e-04
Coefficient D			1.78200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	435.63	J/mol×K	273.00	Calculated Property
Cp,gas	530.25	J/mol×K	353.78	Calculated Property
Cp,gas	614.48	J/mol×K	434.56	Calculated Property
Cp,gas	688.90	J/mol×K	515.33	Calculated Property
Cp,gas	754.06	J/mol×K	596.11	Calculated Property
Cp,gas	810.53	J/mol×K	676.89	Calculated Property
Cp,gas	858.88	J/mol×K	757.67	Calculated Property
Cp,gas	899.65	J/mol×K	838.44	Calculated Property
Cp,gas	933.43	J/mol×K	919.22	Calculated Property
Cp,gas	960.77	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004164; 0.0000448]	Pa×s	[513.54; 764.71]	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			-1.45742e+01
Coefficient B			3.48716e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			513.54
Temperature range, max.			764.71
η	0.0004164	Pa×s	513.54	Calculated Property
η	0.0002935	Pa×s	541.45	Calculated Property
η	0.0002140	Pa×s	569.36	Calculated Property
η	0.0001608	Pa×s	597.26	Calculated Property
η	0.0001239	Pa×s	625.17	Calculated Property
η	0.0000976	Pa×s	653.08	Calculated Property
η	0.0000784	Pa×s	680.99	Calculated Property
η	0.0000641	Pa×s	708.90	Calculated Property
η	0.0000532	Pa×s	736.80	Calculated Property
η	0.0000448	Pa×s	764.71	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 2,6-dichlorophenyl heptyl ester.

Sources

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

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