Chemical Properties of D-Alanine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, decyl ester

InChI

InChI=1S/C21H29F4NO3/c1-3-4-5-6-7-8-9-10-14-29-20(28)15(2)26-19(27)16-12-11-13-17(18(16)22)21(23,24)25/h11-13,15H,3-10,14H2,1-2H3,(H,26,27)

InChI Key

BDWNAXYBTWMAEN-UHFFFAOYSA-N

Formula

C21H29F4NO3

SMILES

CCCCCCCCCCOC(=O)C(C)NC(=O)c1cccc(C(F)(F)F)c1F

Molecular Weight¹

419.45

• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[996.83; 1071.41]	J/mol×K	[890.26; 1090.89]
Cp,gas	996.83	J/mol×K	890.26	Joback Calculated Property
Cp,gas	1011.74	J/mol×K	923.70	Joback Calculated Property
Cp,gas	1025.58	J/mol×K	957.14	Joback Calculated Property
Cp,gas	1038.41	J/mol×K	990.58	Joback Calculated Property
Cp,gas	1050.29	J/mol×K	1024.02	Joback Calculated Property
Cp,gas	1061.27	J/mol×K	1057.46	Joback Calculated Property
Cp,gas	1071.41	J/mol×K	1090.89	Joback Calculated Property

Similar Compounds

Find more compounds similar to D-Alanine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, decyl ester.

Sources

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

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