Chemical Properties of D-Alanine, N-(3,4-difluorobenzoyl)-, tridecyl ester

InChI

InChI=1S/C23H35F2NO3/c1-3-4-5-6-7-8-9-10-11-12-13-16-29-23(28)18(2)26-22(27)19-14-15-20(24)21(25)17-19/h14-15,17-18H,3-13,16H2,1-2H3,(H,26,27)

InChI Key

FWZNGIUBXXESCX-UHFFFAOYSA-N

Formula

C23H35F2NO3

SMILES

CCCCCCCCCCCCCOC(=O)C(C)NC(=O)c1ccc(F)c(F)c1

Molecular Weight¹

411.53

• 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	[490.77; 1130.01]	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			1.87320e+01
Coefficient B			2.01384e+00
Coefficient C			-1.09582e-03
Coefficient D			1.93260e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	490.77	J/mol×K	273.00	Calculated Property
Cp,gas	602.59	J/mol×K	353.78	Calculated Property
Cp,gas	702.78	J/mol×K	434.56	Calculated Property
Cp,gas	791.96	J/mol×K	515.33	Calculated Property
Cp,gas	870.74	J/mol×K	596.11	Calculated Property
Cp,gas	939.73	J/mol×K	676.89	Calculated Property
Cp,gas	999.54	J/mol×K	757.67	Calculated Property
Cp,gas	1050.79	J/mol×K	838.44	Calculated Property
Cp,gas	1094.07	J/mol×K	919.22	Calculated Property
Cp,gas	1130.01	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to D-Alanine, N-(3,4-difluorobenzoyl)-, tridecyl ester.

Sources

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

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