Chemical Properties of D-Alanine, N-(4-ethylbenzoyl)-, heptyl ester

InChI

InChI=1S/C19H29NO3/c1-4-6-7-8-9-14-23-19(22)15(3)20-18(21)17-12-10-16(5-2)11-13-17/h10-13,15H,4-9,14H2,1-3H3,(H,20,21)

InChI Key

FICDLRMHBLQLBR-UHFFFAOYSA-N

Formula

C19H29NO3

SMILES

CCCCCCCOC(=O)C(C)NC(=O)c1ccc(CC)cc1

Molecular Weight¹

319.44

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion 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, Enthalpy of vaporization 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	[386.97; 912.55]	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			-4.11300e+00
Coefficient B			1.66976e+00
Coefficient C			-9.12460e-04
Coefficient D			1.59360e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	386.97	J/mol×K	273.00	Calculated Property
Cp,gas	479.46	J/mol×K	353.78	Calculated Property
Cp,gas	562.26	J/mol×K	434.56	Calculated Property
Cp,gas	635.86	J/mol×K	515.33	Calculated Property
Cp,gas	700.77	J/mol×K	596.11	Calculated Property
Cp,gas	757.48	J/mol×K	676.89	Calculated Property
Cp,gas	806.52	J/mol×K	757.67	Calculated Property
Cp,gas	848.37	J/mol×K	838.44	Calculated Property
Cp,gas	883.54	J/mol×K	919.22	Calculated Property
Cp,gas	912.55	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to D-Alanine, N-(4-ethylbenzoyl)-, heptyl ester.

Sources

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

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