Chemical Properties of D-Alanine, N-(4-anisoyl)-, decyl ester

InChI

InChI=1S/C21H33NO4/c1-4-5-6-7-8-9-10-11-16-26-21(24)17(2)22-20(23)18-12-14-19(25-3)15-13-18/h12-15,17H,4-11,16H2,1-3H3,(H,22,23)

InChI Key

LGTSRMGLHRQYAQ-UHFFFAOYSA-N

Formula

C21H33NO4

SMILES

CCCCCCCCCCOC(=O)C(C)NC(=O)c1ccc(OC)cc1

Molecular Weight¹

363.49

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion 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_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 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	[444.80; 1034.23]	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			1.95690e+01
Coefficient B			1.79656e+00
Coefficient C			-9.10260e-04
Coefficient D			1.28360e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	444.80	J/mol×K	273.00	Calculated Property
Cp,gas	546.91	J/mol×K	353.78	Calculated Property
Cp,gas	638.92	J/mol×K	434.56	Calculated Property
Cp,gas	721.23	J/mol×K	515.33	Calculated Property
Cp,gas	794.25	J/mol×K	596.11	Calculated Property
Cp,gas	858.39	J/mol×K	676.89	Calculated Property
Cp,gas	914.05	J/mol×K	757.67	Calculated Property
Cp,gas	961.64	J/mol×K	838.44	Calculated Property
Cp,gas	1001.56	J/mol×K	919.22	Calculated Property
Cp,gas	1034.23	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to D-Alanine, N-(4-anisoyl)-, decyl ester.

Sources

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

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