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

D-Alanine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, tridecyl ester

InChI
InChI=1S/C24H35F4NO3/c1-3-4-5-6-7-8-9-10-11-12-13-17-32-23(31)18(2)29-22(30)19-15-14-16-20(21(19)25)24(26,27)28/h14-16,18H,3-13,17H2,1-2H3,(H,29,30)
InChI Key
QLSUXRKNXJLNRH-UHFFFAOYSA-N
Formula
C24H35F4NO3
SMILES
CCCCCCCCCCCCCOC(=O)C(C)NC(=O)c1cccc(C(F)(F)F)c1F
Molecular Weight1
461.54
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Physical Properties

Property Value Unit Source
ΔfusH° 63.63 kJ/mol Joback Calculated Property
log10WS -7.22 Relay (1.0) Calculated Property
logPoct/wat 6.817 Crippen Calculated Property
McVol 351.330 ml/mol McGowan Calculated Property
Pc 922.18 kPa Joback Calculated Property
Inp 2753.00 NIST
Tfus 349.59 K Relay (1.0) Calculated Property

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 [1171.07; 1249.97] J/mol×K [941.03; 1152.84] Show Hide
Cp,gas 1171.07 J/mol×K 941.03 Joback Calculated Property
Cp,gas 1187.15 J/mol×K 976.33 Joback Calculated Property
Cp,gas 1201.95 J/mol×K 1011.63 Joback Calculated Property
Cp,gas 1215.56 J/mol×K 1046.93 Joback Calculated Property
Cp,gas 1228.05 J/mol×K 1082.24 Joback Calculated Property
Cp,gas 1239.50 J/mol×K 1117.54 Joback Calculated Property
Cp,gas 1249.97 J/mol×K 1152.84 Joback Calculated Property

Similar Compounds

D-Alanine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, hexadecyl ester. D-Alanine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, pentadecyl ester. D-Alanine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, nonyl ester. D-Alanine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, undecyl ester. D-Alanine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, dodecyl ester. D-Alanine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, octadecyl ester. D-Alanine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, octyl ester. D-Alanine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, decyl ester. D-Alanine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, eicosyl ester. D-Alanine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, tetradecyl ester. D-Alanine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, heptadecyl ester. D-Alanine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, nonadecyl ester. D-Alanine, N-(2-fluoro-5-trifluoromethylbenzoyl)-, tridecyl ester. D-Alanine, N-(2-fluoro-5-trifluoromethylbenzoyl)-, octadecyl ester. D-Alanine, N-(2-fluoro-5-trifluoromethylbenzoyl)-, heptyl ester.

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

Sources

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