Chemical Properties of Diethylmalonic acid, octyl 3-phenylpropyl ester

InChI

InChI=1S/C24H38O4/c1-4-7-8-9-10-14-19-27-22(25)24(5-2,6-3)23(26)28-20-15-18-21-16-12-11-13-17-21/h11-13,16-17H,4-10,14-15,18-20H2,1-3H3

InChI Key

GFUVETHQOOBVIR-UHFFFAOYSA-N

Formula

C24H38O4

SMILES

CCCCCCCCOC(=O)C(CC)(CC)C(=O)OCCCc1ccccc1

Molecular Weight¹

390.56

• 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	[488.57; 1156.67]	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			-2.64880e+01
Coefficient B			2.22116e+00
Coefficient C			-1.29560e-03
Coefficient D			2.57600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	488.57	J/mol×K	273.00	Calculated Property
Cp,gas	608.56	J/mol×K	353.78	Calculated Property
Cp,gas	715.21	J/mol×K	434.56	Calculated Property
Cp,gas	809.33	J/mol×K	515.33	Calculated Property
Cp,gas	891.75	J/mol×K	596.11	Calculated Property
Cp,gas	963.27	J/mol×K	676.89	Calculated Property
Cp,gas	1024.70	J/mol×K	757.67	Calculated Property
Cp,gas	1076.87	J/mol×K	838.44	Calculated Property
Cp,gas	1120.59	J/mol×K	919.22	Calculated Property
Cp,gas	1156.67	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006405; 0.0000349]	Pa×s	[473.74; 764.39]	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			-1.50024e+01
Coefficient B			3.62368e+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.			473.74
Temperature range, max.			764.39
η	0.0006405	Pa×s	473.74	Calculated Property
η	0.0003931	Pa×s	506.03	Calculated Property
η	0.0002558	Pa×s	538.33	Calculated Property
η	0.0001748	Pa×s	570.62	Calculated Property
η	0.0001244	Pa×s	602.92	Calculated Property
η	0.0000916	Pa×s	635.21	Calculated Property
η	0.0000695	Pa×s	667.50	Calculated Property
η	0.0000541	Pa×s	699.80	Calculated Property
η	0.0000431	Pa×s	732.09	Calculated Property
η	0.0000349	Pa×s	764.39	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, octyl 3-phenylpropyl ester.

Sources

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

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