Chemical Properties of Diethylmalonic acid, pentyl 3-phenylpropyl ester

InChI

InChI=1S/C21H32O4/c1-4-7-11-16-24-19(22)21(5-2,6-3)20(23)25-17-12-15-18-13-9-8-10-14-18/h8-10,13-14H,4-7,11-12,15-17H2,1-3H3

InChI Key

QJILYJQZYQVKCC-UHFFFAOYSA-N

Formula

C21H32O4

SMILES

CCCCCOC(=O)C(CC)(CC)C(=O)OCCCc1ccccc1

Molecular Weight¹

348.48

• 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	[424.93; 1001.90]	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			-2.37610e+01
Coefficient B			1.93616e+00
Coefficient C			-1.13240e-03
Coefficient D			2.21900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	424.93	J/mol×K	273.00	Calculated Property
Cp,gas	529.31	J/mol×K	353.78	Calculated Property
Cp,gas	621.98	J/mol×K	434.56	Calculated Property
Cp,gas	703.65	J/mol×K	515.33	Calculated Property
Cp,gas	775.01	J/mol×K	596.11	Calculated Property
Cp,gas	836.78	J/mol×K	676.89	Calculated Property
Cp,gas	889.65	J/mol×K	757.67	Calculated Property
Cp,gas	934.33	J/mol×K	838.44	Calculated Property
Cp,gas	971.51	J/mol×K	919.22	Calculated Property
Cp,gas	1001.90	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009833; 0.0000534]	Pa×s	[439.93; 713.65]	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			-1.45194e+01
Coefficient B			3.34120e+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.			439.93
Temperature range, max.			713.65
η	0.0009833	Pa×s	439.93	Calculated Property
η	0.0006018	Pa×s	470.34	Calculated Property
η	0.0003909	Pa×s	500.76	Calculated Property
η	0.0002668	Pa×s	531.17	Calculated Property
η	0.0001897	Pa×s	561.58	Calculated Property
η	0.0001398	Pa×s	592.00	Calculated Property
η	0.0001061	Pa×s	622.41	Calculated Property
η	0.0000826	Pa×s	652.82	Calculated Property
η	0.0000658	Pa×s	683.24	Calculated Property
η	0.0000534	Pa×s	713.65	Calculated Property

Similar Compounds

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

Sources

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

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