Chemical Properties of D-alanine, n-(2,5-difluorobenzoyl)-, hexadecyl ester

D-alanine, n-(2,5-difluorobenzoyl)-, hexadecyl ester

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InChI
InChI=1S/C26H41F2NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-32-26(31)21(2)29-25(30)23-20-22(27)17-18-24(23)28/h17-18,20-21H,3-16,19H2,1-2H3,(H,29,30)
InChI Key
GYEJUVFFKLHFQU-UHFFFAOYSA-N
Formula
C26H41F2NO3
SMILES
CCCCCCCCCCCCCCCCOC(=O)C(C)NC(=O)c1cc(F)ccc1F
Molecular Weight1
453.61
Sources

Physical Properties

Property Value Unit Source
Δf -404.32 kJ/mol Joback Calculated Property
Δfgas -1067.79 kJ/mol Joback Calculated Property
Δfus 68.48 kJ/mol Joback Calculated Property
Δvap 97.39 kJ/mol Joback Calculated Property
logPoct/wat 7.11 Crippen Calculated Property
Pc 878.96 kPa Joback Calculated Property
Tboil 1009.35 K Joback Calculated Property
Tc 1240.77 K Joback Calculated Property
Tfus 595.17 K Joback Calculated Property
Vc 1.48 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1288.65 J/mol×K 1009.35 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- 15
-F 2
>NH 1
-CH3 2

Similar Compounds

D-alanine, n-(2,5-difluorobenzoyl)-, tridecyl ester. D-alanine, n-(2,5-difluorobenzoyl)-, undecyl ester. D-alanine, n-(2,5-difluorobenzoyl)-, tetradecyl ester. D-alanine, n-(2,5-difluorobenzoyl)-, eicosyl ester. D-alanine, n-(2,5-difluorobenzoyl)-, decyl ester. D-alanine, n-(2,5-difluorobenzoyl)-, heptadecyl ester. D-alanine, n-(2,4-difluorobenzoyl)-, hexadecyl ester. D-alanine, n-(2,4-difluorobenzoyl)-, eicosyl ester. D-alanine, n-(2,4-difluorobenzoyl)-, octadecyl ester. D-alanine, n-(2,4-difluorobenzoyl)-, pentyl ester. D-alanine, n-(2,4-difluorobenzoyl)-, propyl ester. D-alanine, n-(3,4-difluorobenzoyl)-, octadecyl ester. D-alanine, n-(3,4-difluorobenzoyl)-, tridecyl ester. D-alanine, n-(3,4-difluorobenzoyl)-, octyl ester. D-alanine, n-(3,4-difluorobenzoyl)-, tetradecyl ester.

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