Chemical Properties of D-alanine, n-(3-fluoro-4-trifluoromethylbenzoyl)-, tetradecyl ester

D-alanine, n-(3-fluoro-4-trifluoromethylbenzoyl)-, tetradecyl ester

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InChI
InChI=1S/C25H37F4NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-33-24(32)19(2)30-23(31)20-15-16-21(22(26)18-20)25(27,28)29/h15-16,18-19H,3-14,17H2,1-2H3,(H,30,31)
InChI Key
KTZXESZERGJCGN-UHFFFAOYSA-N
Formula
C25H37F4NO3
SMILES
CCCCCCCCCCCCCCOC(=O)C(C)NC(=O)c1ccc(C(F)(F)F)c(F)c1
Molecular Weight1
475.56
Sources

Physical Properties

Property Value Unit Source
Δf -799.52 kJ/mol Joback Calculated Property
Δfgas -1448.12 kJ/mol Joback Calculated Property
Δfus 64.64 kJ/mol Joback Calculated Property
Δvap 92.23 kJ/mol Joback Calculated Property
logPoct/wat 7.21 Crippen Calculated Property
Pc 892.13 kPa Joback Calculated Property
Tboil 981.78 K Joback Calculated Property
Tc 1205.47 K Joback Calculated Property
Tfus 587.50 K Joback Calculated Property
Vc 1.45 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1239.87 J/mol×K 981.78 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 1
-F 4
=CH- (ring) 3
=C< (ring) 3
-CH2- 13
>C< 1
>NH 1
>C=O (nonring) 2
-CH3 2

Similar Compounds

D-alanine, n-(3-fluoro-4-trifluoromethylbenzoyl)-, undecyl ester. D-alanine, n-(3-fluoro-4-trifluoromethylbenzoyl)-, octyl ester. D-alanine, n-(3-fluoro-4-trifluoromethylbenzoyl)-, eicosyl ester. D-alanine, n-(3-fluoro-4-trifluoromethylbenzoyl)-, decyl ester. D-alanine, n-(3-fluoro-4-trifluoromethylbenzoyl)-, octadecyl ester. D-alanine, n-(3-fluoro-4-trifluoromethylbenzoyl)-, pentadecyl ester. D-alanine, n-(3-fluoro-4-trifluoromethylbenzoyl)-, heptadecyl ester. D-alanine, n-(3-fluoro-4-trifluoromethylbenzoyl)-, nonyl ester. D-alanine, n-(3-fluoro-4-trifluoromethylbenzoyl)-, hexadecyl ester. D-alanine, n-(3-fluoro-4-trifluoromethylbenzoyl)-, pentyl ester. D-alanine, n-(3-fluoro-4-trifluoromethylbenzoyl)-, isohexyl ester. D-alanine, n-(3-fluoro-4-trifluoromethylbenzoyl)-, propyl ester. D-alanine, n-(3-fluoro-4-trifluoromethylbenzoyl)-, isobutyl ester. D-alanine, n-(3-fluoro-4-trifluoromethylbenzoyl)-, ethyl ester. D-alanine, n-(3-fluoro-5-trifluoromethylbenzoyl)-, tetradecyl ester.

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