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

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

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InChI
InChI=1S/C15H17F4NO3/c1-8(2)7-23-14(22)9(3)20-13(21)10-4-5-11(12(16)6-10)15(17,18)19/h4-6,8-9H,7H2,1-3H3,(H,20,21)
InChI Key
MDTYWOPFMBKXLL-UHFFFAOYSA-N
Formula
C15H17F4NO3
SMILES
CC(C)COC(=O)C(C)NC(=O)c1ccc(C(F)(F)F)c(F)c1
Molecular Weight1
335.29
Sources

Physical Properties

Property Value Unit Source
Δf -886.16 kJ/mol Joback Calculated Property
Δfgas -1247.00 kJ/mol Joback Calculated Property
Δfus 35.21 kJ/mol Joback Calculated Property
Δvap 69.58 kJ/mol Joback Calculated Property
logPoct/wat 3.16 Crippen Calculated Property
Pc 1765.41 kPa Joback Calculated Property
Tboil 752.54 K Joback Calculated Property
Tc 946.57 K Joback Calculated Property
Tfus 459.80 K Joback Calculated Property
Vc 0.88 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 654.74 J/mol×K 752.54 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

D-alanine, n-(3-fluoro-4-trifluoromethylbenzoyl)-, propyl 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)-, hexadecyl ester. D-alanine, n-(3-fluoro-4-trifluoromethylbenzoyl)-, octyl 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)-, undecyl 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)-, eicosyl 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)-, isohexyl ester. D-alanine, n-(3-fluoro-5-trifluoromethylbenzoyl)-, decyl ester.

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