Chemical Properties of D-Alanine, N-(2,5-difluorobenzoyl)-, decyl ester

InChI

InChI=1S/C20H29F2NO3/c1-3-4-5-6-7-8-9-10-13-26-20(25)15(2)23-19(24)17-14-16(21)11-12-18(17)22/h11-12,14-15H,3-10,13H2,1-2H3,(H,23,24)

InChI Key

MRIWMALZKUAQHA-UHFFFAOYSA-N

Formula

C20H29F2NO3

SMILES

CCCCCCCCCCOC(=O)C(C)NC(=O)c1cc(F)ccc1F

Molecular Weight¹

369.45

• 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	[427.13; 975.24]	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			2.14590e+01
Coefficient B			1.72884e+00
Coefficient C			-9.32620e-04
Coefficient D			1.57560e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	427.13	J/mol×K	273.00	Calculated Property
Cp,gas	523.34	J/mol×K	353.78	Calculated Property
Cp,gas	609.55	J/mol×K	434.56	Calculated Property
Cp,gas	686.28	J/mol×K	515.33	Calculated Property
Cp,gas	754.01	J/mol×K	596.11	Calculated Property
Cp,gas	813.25	J/mol×K	676.89	Calculated Property
Cp,gas	864.49	J/mol×K	757.67	Calculated Property
Cp,gas	908.24	J/mol×K	838.44	Calculated Property
Cp,gas	944.99	J/mol×K	919.22	Calculated Property
Cp,gas	975.24	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to D-Alanine, N-(2,5-difluorobenzoyl)-, decyl ester.

Sources

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

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