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

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

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InChI
InChI=1S/C27H41F4NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-35-26(34)21(2)32-25(33)22-17-18-23(24(28)20-22)27(29,30)31/h17-18,20-21H,3-16,19H2,1-2H3,(H,32,33)
InChI Key
FTEKTELJJHZSPK-UHFFFAOYSA-N
Formula
C27H41F4NO3
SMILES
CCCCCCCCCCCCCCCCOC(=O)C(C)NC(=O)c1ccc(C(F)(F)F)c(F)c1
Molecular Weight1
503.61
Sources

Physical Properties

Property Value Unit Source
Δf -782.68 kJ/mol Joback Calculated Property
Δfgas -1489.40 kJ/mol Joback Calculated Property
Δfus 69.82 kJ/mol Joback Calculated Property
Δvap 96.68 kJ/mol Joback Calculated Property
logPoct/wat 7.99 Crippen Calculated Property
Pc 797.98 kPa Joback Calculated Property
Tboil 1027.54 K Joback Calculated Property
Tc 1269.63 K Joback Calculated Property
Tfus 610.04 K Joback Calculated Property
Vc 1.56 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1364.57 J/mol×K 1027.54 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
>CH- 1
-F 4
=CH- (ring) 3
=C< (ring) 3
>C=O (nonring) 2
-CH2- 15
>C< 1
>NH 1
-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)-, tetradecyl ester. D-alanine, n-(3-fluoro-4-trifluoromethylbenzoyl)-, nonyl 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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