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

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

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InChI
InChI=1S/C20H29F2NO3/c1-3-4-5-6-7-8-9-10-13-26-20(25)15(2)23-19(24)17-14-16(21)11-12-18(17)22/h11-12,14-15H,3-10,13H2,1-2H3,(H,23,24)
InChI Key
MRIWMALZKUAQHA-UHFFFAOYSA-N
Formula
C20H29F2NO3
SMILES
CCCCCCCCCCOC(=O)C(C)NC(=O)c1cc(F)ccc1F
Molecular Weight1
369.45
Sources

Physical Properties

Property Value Unit Source
Δf -454.84 kJ/mol Joback Calculated Property
Δfgas -943.95 kJ/mol Joback Calculated Property
Δfus 52.94 kJ/mol Joback Calculated Property
Δvap 84.03 kJ/mol Joback Calculated Property
logPoct/wat 4.77 Crippen Calculated Property
Pc 1278.25 kPa Joback Calculated Property
Tboil 872.07 K Joback Calculated Property
Tc 1071.74 K Joback Calculated Property
Tfus 527.55 K Joback Calculated Property
Vc 1.14 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 922.29 J/mol×K 872.07 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 1
-F 2
=CH- (ring) 3
=C< (ring) 3
-CH2- 9
>NH 1
>C=O (nonring) 2
-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)-, hexadecyl ester. D-alanine, n-(2,5-difluorobenzoyl)-, eicosyl 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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