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

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

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InChI
InChI=1S/C28H43F4NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-36-27(35)22(2)33-26(34)23-18-19-24(25(29)21-23)28(30,31)32/h18-19,21-22H,3-17,20H2,1-2H3,(H,33,34)
InChI Key
PLSDJBPOUJHDJQ-UHFFFAOYSA-N
Formula
C28H43F4NO3
SMILES
CCCCCCCCCCCCCCCCCOC(=O)C(C)NC(=O)c1ccc(C(F)(F)F)c(F)c1
Molecular Weight1
517.64
Sources

Physical Properties

Property Value Unit Source
Δf -774.26 kJ/mol Joback Calculated Property
Δfgas -1510.04 kJ/mol Joback Calculated Property
Δfus 72.41 kJ/mol Joback Calculated Property
Δvap 98.91 kJ/mol Joback Calculated Property
logPoct/wat 8.38 Crippen Calculated Property
Pc 756.40 kPa Joback Calculated Property
Tboil 1050.42 K Joback Calculated Property
Tc 1303.74 K Joback Calculated Property
Tfus 621.31 K Joback Calculated Property
Vc 1.62 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1427.57 J/mol×K 1050.42 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 1
-F 4
=CH- (ring) 3
=C< (ring) 3
-CH2- 16
>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)-, tetradecyl ester. D-alanine, n-(3-fluoro-4-trifluoromethylbenzoyl)-, nonyl 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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