Chemical Properties of .beta.-Alanine, N-(4-butylbenzoyl)-, nonyl ester

InChI

InChI=1S/C23H37NO3/c1-3-5-7-8-9-10-11-19-27-22(25)17-18-24-23(26)21-15-13-20(14-16-21)12-6-4-2/h13-16H,3-12,17-19H2,1-2H3,(H,24,26)

InChI Key

ZGWSNVLLTRVKSD-UHFFFAOYSA-N

Formula

C23H37NO3

SMILES

CCCCCCCCCOC(=O)CCNC(=O)c1ccc(CCCC)cc1

Molecular Weight¹

375.55

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, 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	[472.14; 1118.37]	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			-6.06700e+00
Coefficient B			2.04384e+00
Coefficient C			-1.12686e-03
Coefficient D			2.07460e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	472.14	J/mol×K	273.00	Calculated Property
Cp,gas	585.15	J/mol×K	353.78	Calculated Property
Cp,gas	686.32	J/mol×K	434.56	Calculated Property
Cp,gas	776.33	J/mol×K	515.33	Calculated Property
Cp,gas	855.81	J/mol×K	596.11	Calculated Property
Cp,gas	925.42	J/mol×K	676.89	Calculated Property
Cp,gas	985.83	J/mol×K	757.67	Calculated Property
Cp,gas	1037.69	J/mol×K	838.44	Calculated Property
Cp,gas	1081.65	J/mol×K	919.22	Calculated Property
Cp,gas	1118.37	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to .beta.-Alanine, N-(4-butylbenzoyl)-, nonyl ester.

Sources

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

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