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

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

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InChI
InChI=1S/C16H19F4NO3/c1-3-4-5-8-24-15(23)10(2)21-14(22)11-6-7-12(13(17)9-11)16(18,19)20/h6-7,9-10H,3-5,8H2,1-2H3,(H,21,22)
InChI Key
YCWCOBDSGWIVEX-UHFFFAOYSA-N
Formula
C16H19F4NO3
SMILES
CCCCCOC(=O)C(C)NC(=O)c1ccc(C(F)(F)F)c(F)c1
Molecular Weight1
349.32
Sources

Physical Properties

Property Value Unit Source
Δf -875.30 kJ/mol Joback Calculated Property
Δfgas -1262.36 kJ/mol Joback Calculated Property
Δfus 41.33 kJ/mol Joback Calculated Property
Δvap 72.20 kJ/mol Joback Calculated Property
logPoct/wat 3.70 Crippen Calculated Property
Pc 1620.68 kPa Joback Calculated Property
Tboil 775.86 K Joback Calculated Property
Tc 967.32 K Joback Calculated Property
Tfus 486.07 K Joback Calculated Property
Vc 0.94 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 709.01 J/mol×K 775.86 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

D-alanine, n-(3-fluoro-4-trifluoromethylbenzoyl)-, hexadecyl ester. D-alanine, n-(3-fluoro-4-trifluoromethylbenzoyl)-, undecyl ester. D-alanine, n-(3-fluoro-4-trifluoromethylbenzoyl)-, octadecyl ester. D-alanine, n-(3-fluoro-4-trifluoromethylbenzoyl)-, decyl ester. D-alanine, n-(3-fluoro-4-trifluoromethylbenzoyl)-, heptadecyl ester. D-alanine, n-(3-fluoro-4-trifluoromethylbenzoyl)-, octyl 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)-, pentadecyl ester. D-alanine, n-(3-fluoro-4-trifluoromethylbenzoyl)-, eicosyl 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)-, octadecyl ester.

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