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

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

InChI
InChI=1S/C23H33F4NO3/c1-3-4-5-6-7-8-9-10-11-12-16-31-22(30)17(2)28-21(29)18-14-13-15-19(20(18)24)23(25,26)27/h13-15,17H,3-12,16H2,1-2H3,(H,28,29)
InChI Key
ZAXKSMPMMQUKJQ-UHFFFAOYSA-N
Formula
C23H33F4NO3
SMILES
CCCCCCCCCCCCOC(=O)C(C)NC(=O)c1cccc(C(F)(F)F)c1F
Molecular Weight1
447.51
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Physical Properties

Property Value Unit Source
ΔfusH° 61.04 kJ/mol Joback Calculated Property
log10WS -6.95 Relay (1.0) Calculated Property
logPoct/wat 6.427 Crippen Calculated Property
McVol 337.240 ml/mol McGowan Calculated Property
Pc 978.40 kPa Joback Calculated Property
Inp [2658.00; 2658.00]   Show Hide
Inp 2658.00 NIST
Inp 2658.00 NIST
Tfus 347.86 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 [1110.27; 1187.47] J/mol×K [918.15; 1124.10] Show Hide
Cp,gas 1110.27 J/mol×K 918.15 Joback Calculated Property
Cp,gas 1125.92 J/mol×K 952.47 Joback Calculated Property
Cp,gas 1140.37 J/mol×K 986.80 Joback Calculated Property
Cp,gas 1153.68 J/mol×K 1021.12 Joback Calculated Property
Cp,gas 1165.93 J/mol×K 1055.45 Joback Calculated Property
Cp,gas 1177.17 J/mol×K 1089.77 Joback Calculated Property
Cp,gas 1187.47 J/mol×K 1124.10 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)-, 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)-, tridecyl 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)-, dodecyl ester.

Sources

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