Chemical Properties of Diethylmalonic acid, 2-chloro-5-methylphenyl nonyl ester

InChI

InChI=1S/C23H35ClO4/c1-5-8-9-10-11-12-13-16-27-21(25)23(6-2,7-3)22(26)28-20-17-18(4)14-15-19(20)24/h14-15,17H,5-13,16H2,1-4H3

InChI Key

NCYGPRGBVFBWRO-UHFFFAOYSA-N

Formula

C23H35ClO4

SMILES

CCCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1cc(C)ccc1Cl

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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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	[485.86; 1107.27]	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			1.59100e+01
Coefficient B			2.01398e+00
Coefficient C			-1.12752e-03
Coefficient D			2.04900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	485.86	J/mol×K	273.00	Calculated Property
Cp,gas	596.37	J/mol×K	353.78	Calculated Property
Cp,gas	694.99	J/mol×K	434.56	Calculated Property
Cp,gas	782.39	J/mol×K	515.33	Calculated Property
Cp,gas	859.21	J/mol×K	596.11	Calculated Property
Cp,gas	926.09	J/mol×K	676.89	Calculated Property
Cp,gas	983.69	J/mol×K	757.67	Calculated Property
Cp,gas	1032.66	J/mol×K	838.44	Calculated Property
Cp,gas	1073.63	J/mol×K	919.22	Calculated Property
Cp,gas	1107.27	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003692; 0.0000344]	Pa×s	[517.43; 785.58]	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			-1.48585e+01
Coefficient B			3.59832e+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.			517.43
Temperature range, max.			785.58
η	0.0003692	Pa×s	517.43	Calculated Property
η	0.0002528	Pa×s	547.22	Calculated Property
η	0.0001800	Pa×s	577.02	Calculated Property
η	0.0001325	Pa×s	606.81	Calculated Property
η	0.0001004	Pa×s	636.61	Calculated Property
η	0.0000780	Pa×s	666.40	Calculated Property
η	0.0000619	Pa×s	696.20	Calculated Property
η	0.0000501	Pa×s	725.99	Calculated Property
η	0.0000412	Pa×s	755.78	Calculated Property
η	0.0000344	Pa×s	785.58	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 2-chloro-5-methylphenyl nonyl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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