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

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

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InChI
InChI=1S/C26H39F4NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-34-25(33)20(2)31-24(32)21-16-17-22(23(27)19-21)26(28,29)30/h16-17,19-20H,3-15,18H2,1-2H3,(H,31,32)
InChI Key
PVIZCSMTIYMVNQ-UHFFFAOYSA-N
Formula
C26H39F4NO3
SMILES
CCCCCCCCCCCCCCCOC(=O)C(C)NC(=O)c1ccc(C(F)(F)F)c(F)c1
Molecular Weight1
489.59
Sources

Physical Properties

Property Value Unit Source
Δf -791.10 kJ/mol Joback Calculated Property
Δfgas -1468.76 kJ/mol Joback Calculated Property
Δfus 67.23 kJ/mol Joback Calculated Property
Δvap 94.46 kJ/mol Joback Calculated Property
logPoct/wat 7.60 Crippen Calculated Property
Pc 843.09 kPa Joback Calculated Property
Tboil 1004.66 K Joback Calculated Property
Tc 1236.91 K Joback Calculated Property
Tfus 598.77 K Joback Calculated Property
Vc 1.50 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1301.99 J/mol×K 1004.66 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 1
-F 4
=CH- (ring) 3
>NH 1
=C< (ring) 3
-CH2- 14
>C< 1
-CH3 2
>C=O (nonring) 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)-, heptadecyl 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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