Chemical Properties of D-alanine, n-(3-fluoro-5-trifluoromethylbenzoyl)-, tridecyl ester

InChI

InChI=1S/C24H35F4NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-32-23(31)18(2)29-22(30)19-15-20(24(26,27)28)17-21(25)16-19/h15-18H,3-14H2,1-2H3,(H,29,30)

InChI Key

ZTEXQXRPDVHXAN-UHFFFAOYSA-N

Formula

C24H35F4NO3

SMILES

CCCCCCCCCCCCCOC(=O)C(C)NC(=O)c1cc(F)cc(C(F)(F)F)c1

Molecular Weight¹

461.54

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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	[1178.25; 1258.37]	J/mol×K	[958.90; 1175.24]
Cp,gas	1178.25	J/mol×K	958.90	Joback Calculated Property
Cp,gas	1194.46	J/mol×K	994.96	Joback Calculated Property
Cp,gas	1209.41	J/mol×K	1031.01	Joback Calculated Property
Cp,gas	1223.21	J/mol×K	1067.07	Joback Calculated Property
Cp,gas	1235.91	J/mol×K	1103.13	Joback Calculated Property
Cp,gas	1247.60	J/mol×K	1139.18	Joback Calculated Property
Cp,gas	1258.37	J/mol×K	1175.24	Joback Calculated Property

Similar Compounds

Find more compounds similar to D-alanine, n-(3-fluoro-5-trifluoromethylbenzoyl)-, tridecyl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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