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

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

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InChI
InChI=1S/C19H25F4NO3/c1-3-4-5-6-7-8-11-27-18(26)13(2)24-17(25)14-9-10-15(16(20)12-14)19(21,22)23/h9-10,12-13H,3-8,11H2,1-2H3,(H,24,25)
InChI Key
KFLVUACUEFWEOR-UHFFFAOYSA-N
Formula
C19H25F4NO3
SMILES
CCCCCCCCOC(=O)C(C)NC(=O)c1ccc(C(F)(F)F)c(F)c1
Molecular Weight1
391.40
Sources

Physical Properties

Property Value Unit Source
Δf -850.04 kJ/mol Joback Calculated Property
Δfgas -1324.28 kJ/mol Joback Calculated Property
Δfus 49.10 kJ/mol Joback Calculated Property
Δvap 78.87 kJ/mol Joback Calculated Property
logPoct/wat 4.87 Crippen Calculated Property
Pc 1301.41 kPa Joback Calculated Property
Tboil 844.50 K Joback Calculated Property
Tc 1039.23 K Joback Calculated Property
Tfus 519.88 K Joback Calculated Property
Vc 1.11 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 879.24 J/mol×K 844.5 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
>CH- 1
-F 4
=CH- (ring) 3
>NH 1
=C< (ring) 3
-CH2- 7
>C< 1
-CH3 2
>C=O (nonring) 2

Similar Compounds

D-alanine, n-(3-fluoro-4-trifluoromethylbenzoyl)-, undecyl 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)-, 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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