Chemical Properties of Diethylmalonic acid, butyl 1-phenylpropyl ester

InChI

InChI=1S/C20H30O4/c1-5-9-15-23-18(21)20(7-3,8-4)19(22)24-17(6-2)16-13-11-10-12-14-16/h10-14,17H,5-9,15H2,1-4H3

InChI Key

HLHGTGYNALSKDU-UHFFFAOYSA-N

Formula

C20H30O4

SMILES

CCCCOC(=O)C(CC)(CC)C(=O)OC(CC)c1ccccc1

Molecular Weight¹

334.45

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• 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

Cheméo can also estimate Standard Gibbs free energy of formation, 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	[403.40; 950.85]	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			-2.45340e+01
Coefficient B			1.84708e+00
Coefficient C			-1.08120e-03
Coefficient D			2.09500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	403.40	J/mol×K	273.00	Calculated Property
Cp,gas	502.88	J/mol×K	353.78	Calculated Property
Cp,gas	591.14	J/mol×K	434.56	Calculated Property
Cp,gas	668.87	J/mol×K	515.33	Calculated Property
Cp,gas	736.71	J/mol×K	596.11	Calculated Property
Cp,gas	795.32	J/mol×K	676.89	Calculated Property
Cp,gas	845.39	J/mol×K	757.67	Calculated Property
Cp,gas	887.55	J/mol×K	838.44	Calculated Property
Cp,gas	922.48	J/mol×K	919.22	Calculated Property
Cp,gas	950.85	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0014237; 0.0000556]	Pa×s	[413.66; 699.05]	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			-1.44955e+01
Coefficient B			3.28486e+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.			413.66
Temperature range, max.			699.05
η	0.0014237	Pa×s	413.66	Calculated Property
η	0.0008088	Pa×s	445.37	Calculated Property
η	0.0004954	Pa×s	477.08	Calculated Property
η	0.0003225	Pa×s	508.79	Calculated Property
η	0.0002208	Pa×s	540.50	Calculated Property
η	0.0001577	Pa×s	572.21	Calculated Property
η	0.0001167	Pa×s	603.92	Calculated Property
η	0.0000889	Pa×s	635.63	Calculated Property
η	0.0000696	Pa×s	667.34	Calculated Property
η	0.0000556	Pa×s	699.05	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, butyl 1-phenylpropyl ester.

Sources

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

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