Chemical Properties of Diethylmalonic acid, 4-chlorobenzyl nonyl ester

InChI

InChI=1S/C23H35ClO4/c1-4-7-8-9-10-11-12-17-27-21(25)23(5-2,6-3)22(26)28-18-19-13-15-20(24)16-14-19/h13-16H,4-12,17-18H2,1-3H3

InChI Key

UWIMXZHKZXJGFW-UHFFFAOYSA-N

Formula

C23H35ClO4

SMILES

CCCCCCCCCOC(=O)C(CC)(CC)C(=O)OCc1ccc(Cl)cc1

Molecular Weight¹

410.98

• 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).
• 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, 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	[483.31; 1110.31]	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			1.61100e+00
Coefficient B			2.07346e+00
Coefficient C			-1.19456e-03
Coefficient D			2.29800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	483.31	J/mol×K	273.00	Calculated Property
Cp,gas	595.82	J/mol×K	353.78	Calculated Property
Cp,gas	695.92	J/mol×K	434.56	Calculated Property
Cp,gas	784.35	J/mol×K	515.33	Calculated Property
Cp,gas	861.82	J/mol×K	596.11	Calculated Property
Cp,gas	929.06	J/mol×K	676.89	Calculated Property
Cp,gas	986.81	J/mol×K	757.67	Calculated Property
Cp,gas	1035.78	J/mol×K	838.44	Calculated Property
Cp,gas	1076.70	J/mol×K	919.22	Calculated Property
Cp,gas	1110.31	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004420; 0.0000342]	Pa×s	[504.91; 781.44]	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			-1.49525e+01
Coefficient B			3.64958e+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.			504.91
Temperature range, max.			781.44
η	0.0004420	Pa×s	504.91	Calculated Property
η	0.0002920	Pa×s	535.64	Calculated Property
η	0.0002017	Pa×s	566.36	Calculated Property
η	0.0001448	Pa×s	597.09	Calculated Property
η	0.0001074	Pa×s	627.81	Calculated Property
η	0.0000819	Pa×s	658.54	Calculated Property
η	0.0000639	Pa×s	689.26	Calculated Property
η	0.0000510	Pa×s	719.99	Calculated Property
η	0.0000415	Pa×s	750.71	Calculated Property
η	0.0000342	Pa×s	781.44	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 4-chlorobenzyl nonyl ester.

Sources

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

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