Chemical Properties of D-Alanine, N-(2,5-ditrifluoromethylbenzoyl)-, butyl ester

D-Alanine, N-(2,5-ditrifluoromethylbenzoyl)-, butyl ester

InChI
InChI=1S/C16H17F6NO3/c1-3-4-7-26-14(25)9(2)23-13(24)11-8-10(15(17,18)19)5-6-12(11)16(20,21)22/h5-6,8-9H,3-4,7H2,1-2H3,(H,23,24)
InChI Key
OMSCKDCNAOJGBH-UHFFFAOYSA-N
Formula
C16H17F6NO3
SMILES
CCCCOC(=O)C(C)NC(=O)c1cc(C(F)(F)F)ccc1C(F)(F)F
Molecular Weight1
385.30
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Physical Properties

Property Value Unit Source
ΔfusH° 41.65 kJ/mol Joback Calculated Property
logPoct/wat 4.186 Crippen Calculated Property
McVol 242.150 ml/mol McGowan Calculated Property

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 [721.78; 784.85] J/mol×K [753.30; 938.27] Show Hide
Cp,gas 721.78 J/mol×K 753.30 Joback Calculated Property
Cp,gas 734.38 J/mol×K 784.13 Joback Calculated Property
Cp,gas 746.09 J/mol×K 814.96 Joback Calculated Property
Cp,gas 756.94 J/mol×K 845.79 Joback Calculated Property
Cp,gas 766.98 J/mol×K 876.61 Joback Calculated Property
Cp,gas 776.27 J/mol×K 907.44 Joback Calculated Property
Cp,gas 784.85 J/mol×K 938.27 Joback Calculated Property

Similar Compounds

D-Alanine, N-(2,5-ditrifluoromethylbenzoyl)-, pentyl ester. D-Alanine, N-(2,5-ditrifluoromethylbenzoyl)-, hexadecyl ester. D-Alanine, N-(2,5-ditrifluoromethylbenzoyl)-, hexyl ester. D-Alanine, N-(2,5-ditrifluoromethylbenzoyl)-, octyl ester. D-Alanine, N-(2,5-ditrifluoromethylbenzoyl)-, octadecyl ester. D-Alanine, N-(2,5-ditrifluoromethylbenzoyl)-, decyl ester. D-Alanine, N-(2,5-ditrifluoromethylbenzoyl)-, heptyl ester. D-Alanine, N-(2,5-ditrifluoromethylbenzoyl)-, nonyl ester. D-Alanine, N-(2,5-ditrifluoromethylbenzoyl)-, propyl ester. D-Alanine, N-(2,5-ditrifluoromethylbenzoyl)-, ethyl ester. D-Alanine, N-(5-fluoro-2-trifluoromethylbenzoyl)-, butyl ester. D-Alanine, N-(4-fluoro-2-trifluoromethylbenzoyl)-, butyl ester. D-Alanine, N-(5-fluoro-2-trifluoromethylbenzoyl)-, pentyl ester. D-Alanine, N-(5-fluoro-2-trifluoromethylbenzoyl)-, dodecyl ester. D-Alanine, N-(5-fluoro-2-trifluoromethylbenzoyl)-, nonadecyl ester.

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

Sources

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