Chemical Properties of Dimethylmalonic acid, nonyl 3-phenylpropyl ester

InChI

InChI=1S/C23H36O4/c1-4-5-6-7-8-9-13-18-26-21(24)23(2,3)22(25)27-19-14-17-20-15-11-10-12-16-20/h10-12,15-16H,4-9,13-14,17-19H2,1-3H3

InChI Key

HOKSBSLYFODVBM-UHFFFAOYSA-N

Formula

C23H36O4

SMILES

CCCCCCCCCOC(=O)C(C)(C)C(=O)OCCCc1ccccc1

Molecular Weight¹

376.53

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• 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_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[467.36; 1105.08]	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			-2.55790e+01
Coefficient B			2.12616e+00
Coefficient C			-1.24120e-03
Coefficient D			2.45700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	467.36	J/mol×K	273.00	Calculated Property
Cp,gas	582.14	J/mol×K	353.78	Calculated Property
Cp,gas	684.13	J/mol×K	434.56	Calculated Property
Cp,gas	774.10	J/mol×K	515.33	Calculated Property
Cp,gas	852.84	J/mol×K	596.11	Calculated Property
Cp,gas	921.10	J/mol×K	676.89	Calculated Property
Cp,gas	979.69	J/mol×K	757.67	Calculated Property
Cp,gas	1029.36	J/mol×K	838.44	Calculated Property
Cp,gas	1070.90	J/mol×K	919.22	Calculated Property
Cp,gas	1105.08	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007406; 0.0000405]	Pa×s	[462.47; 746.95]	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			-1.48400e+01
Coefficient B			3.52952e+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.			462.47
Temperature range, max.			746.95
η	0.0007406	Pa×s	462.47	Calculated Property
η	0.0004545	Pa×s	494.08	Calculated Property
η	0.0002958	Pa×s	525.69	Calculated Property
η	0.0002021	Pa×s	557.30	Calculated Property
η	0.0001439	Pa×s	588.90	Calculated Property
η	0.0001060	Pa×s	620.51	Calculated Property
η	0.0000805	Pa×s	652.12	Calculated Property
η	0.0000627	Pa×s	683.73	Calculated Property
η	0.0000499	Pa×s	715.34	Calculated Property
η	0.0000405	Pa×s	746.95	Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, nonyl 3-phenylpropyl ester.

Sources

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

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