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

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

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InChI
InChI=1S/C14H15F4NO3/c1-3-6-22-13(21)8(2)19-12(20)9-4-5-10(11(15)7-9)14(16,17)18/h4-5,7-8H,3,6H2,1-2H3,(H,19,20)
InChI Key
JLDBRIAYNCAAEY-UHFFFAOYSA-N
Formula
C14H15F4NO3
SMILES
CCCOC(=O)C(C)NC(=O)c1ccc(C(F)(F)F)c(F)c1
Molecular Weight1
321.27
Sources

Physical Properties

Property Value Unit Source
Δf -892.14 kJ/mol Joback Calculated Property
Δfgas -1221.08 kJ/mol Joback Calculated Property
Δfus 36.15 kJ/mol Joback Calculated Property
Δvap 67.74 kJ/mol Joback Calculated Property
logPoct/wat 2.92 Crippen Calculated Property
Pc 1903.58 kPa Joback Calculated Property
Tboil 730.10 K Joback Calculated Property
Tc 922.47 K Joback Calculated Property
Tfus 463.53 K Joback Calculated Property
Vc 0.83 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 600.40 J/mol×K 730.1 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

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

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