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

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

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InChI
InChI=1S/C20H27F4NO3/c1-3-4-5-6-7-8-9-12-28-19(27)14(2)25-18(26)15-10-11-16(17(21)13-15)20(22,23)24/h10-11,13-14H,3-9,12H2,1-2H3,(H,25,26)
InChI Key
JOXWXLGMFIZHDX-UHFFFAOYSA-N
Formula
C20H27F4NO3
SMILES
CCCCCCCCCOC(=O)C(C)NC(=O)c1ccc(C(F)(F)F)c(F)c1
Molecular Weight1
405.43
Sources

Physical Properties

Property Value Unit Source
Δf -841.62 kJ/mol Joback Calculated Property
Δfgas -1344.92 kJ/mol Joback Calculated Property
Δfus 51.69 kJ/mol Joback Calculated Property
Δvap 81.10 kJ/mol Joback Calculated Property
logPoct/wat 5.26 Crippen Calculated Property
Pc 1215.74 kPa Joback Calculated Property
Tboil 867.38 K Joback Calculated Property
Tc 1064.65 K Joback Calculated Property
Tfus 531.15 K Joback Calculated Property
Vc 1.17 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 937.66 J/mol×K 867.38 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
>CH- 1
-F 4
=CH- (ring) 3
=C< (ring) 3
-CH2- 8
>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)-, tetradecyl 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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