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

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

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InChI
InChI=1S/C13H13F4NO3/c1-3-21-12(20)7(2)18-11(19)8-4-5-9(10(14)6-8)13(15,16)17/h4-7H,3H2,1-2H3,(H,18,19)
InChI Key
LQEPWMNNUGKCFT-UHFFFAOYSA-N
Formula
C13H13F4NO3
SMILES
CCOC(=O)C(C)NC(=O)c1ccc(C(F)(F)F)c(F)c1
Molecular Weight1
307.24
Sources

Physical Properties

Property Value Unit Source
Δf -900.56 kJ/mol Joback Calculated Property
Δfgas -1200.44 kJ/mol Joback Calculated Property
Δfus 33.56 kJ/mol Joback Calculated Property
Δvap 65.52 kJ/mol Joback Calculated Property
logPoct/wat 2.53 Crippen Calculated Property
Pc 2073.65 kPa Joback Calculated Property
Tboil 707.22 K Joback Calculated Property
Tc 900.82 K Joback Calculated Property
Tfus 452.26 K Joback Calculated Property
Vc 0.78 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 547.77 J/mol×K 707.22 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- 1
-F 4
>C< 1
>NH 1
-CH3 2

Similar Compounds

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)-, pentyl ester. D-alanine, n-(3-fluoro-4-trifluoromethylbenzoyl)-, pentadecyl 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)-, decyl 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)-, octadecyl 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)-, isohexyl ester. Benzamide, 3-fluoro-4-trifluoromethyl-N-ethyl-.

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