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

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

InChI
InChI=1S/C19H25F4NO3/c1-3-4-5-6-7-8-12-27-18(26)13(2)24-17(25)14-10-9-11-15(16(14)20)19(21,22)23/h9-11,13H,3-8,12H2,1-2H3,(H,24,25)
InChI Key
XUAQAJLHQBJQOC-UHFFFAOYSA-N
Formula
C19H25F4NO3
SMILES
CCCCCCCCOC(=O)C(C)NC(=O)c1cccc(C(F)(F)F)c1F
Molecular Weight1
391.40
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Physical Properties

Property Value Unit Source
ΔfusH° 50.68 kJ/mol Joback Calculated Property
log10WS -5.77 Relay (1.0) Calculated Property
logPoct/wat 4.867 Crippen Calculated Property
McVol 280.880 ml/mol McGowan Calculated Property
Pc 1263.75 kPa Joback Calculated Property
Inp 2261.00 NIST
Tfus 343.17 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 [873.46; 944.71] J/mol×K [826.63; 1018.38] Show Hide
Cp,gas 873.46 J/mol×K 826.63 Joback Calculated Property
Cp,gas 887.71 J/mol×K 858.59 Joback Calculated Property
Cp,gas 900.95 J/mol×K 890.55 Joback Calculated Property
Cp,gas 913.22 J/mol×K 922.51 Joback Calculated Property
Cp,gas 924.58 J/mol×K 954.47 Joback Calculated Property
Cp,gas 935.06 J/mol×K 986.42 Joback Calculated Property
Cp,gas 944.71 J/mol×K 1018.38 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)-, 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)-, octyl ester.

Sources

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