Chemical Properties of D-alanine, n-(2-fluoro-6-trifluoromethylbenzoyl)-, decyl ester

D-alanine, n-(2-fluoro-6-trifluoromethylbenzoyl)-, decyl ester

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InChI
InChI=1S/C21H29F4NO3/c1-3-4-5-6-7-8-9-10-14-29-20(28)15(2)26-19(27)18-16(21(23,24)25)12-11-13-17(18)22/h11-13,15H,3-10,14H2,1-2H3,(H,26,27)
InChI Key
BHVXTNSFNPMIPF-UHFFFAOYSA-N
Formula
C21H29F4NO3
SMILES
CCCCCCCCCCOC(=O)C(C)NC(=O)c1c(F)cccc1C(F)(F)F
Molecular Weight1
419.45
Sources

Physical Properties

Property Value Unit Source
Δf -833.20 kJ/mol Joback Calculated Property
Δfgas -1365.56 kJ/mol Joback Calculated Property
Δfus 54.28 kJ/mol Joback Calculated Property
Δvap 83.33 kJ/mol Joback Calculated Property
logPoct/wat 5.65 Crippen Calculated Property
Pc 1138.27 kPa Joback Calculated Property
Tboil 890.26 K Joback Calculated Property
Tc 1090.89 K Joback Calculated Property
Tfus 542.42 K Joback Calculated Property
Vc 1.22 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 996.83 J/mol×K 890.26 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 1
-CH3 2
=CH- (ring) 3
=C< (ring) 3
-CH2- 9
-F 4
>C< 1
>NH 1
>C=O (nonring) 2

Similar Compounds

D-alanine, n-(2-fluoro-6-trifluoromethylbenzoyl)-, nonyl ester. D-alanine, n-(2-fluoro-6-trifluoromethylbenzoyl)-, pentadecyl ester. D-alanine, n-(2-fluoro-6-trifluoromethylbenzoyl)-, nonadecyl ester. D-alanine, n-(2-fluoro-6-trifluoromethylbenzoyl)-, heptadecyl ester. D-alanine, n-(2-fluoro-6-trifluoromethylbenzoyl)-, tetradecyl ester. D-alanine, n-(2-fluoro-6-trifluoromethylbenzoyl)-, hexadecyl ester. D-alanine, n-(2-fluoro-6-trifluoromethylbenzoyl)-, eicosyl ester. D-alanine, n-(2-fluoro-6-trifluoromethylbenzoyl)-, undecyl ester. D-alanine, n-(4-fluoro-2-trifluoromethylbenzoyl)-, tetradecyl ester. D-alanine, n-(4-fluoro-2-trifluoromethylbenzoyl)-, dodecyl ester. D-alanine, n-(4-fluoro-2-trifluoromethylbenzoyl)-, undecyl ester. D-alanine, n-(4-fluoro-2-trifluoromethylbenzoyl)-, tridecyl ester. D-alanine, n-(4-fluoro-2-trifluoromethylbenzoyl)-, heptadecyl ester. D-alanine, n-(4-fluoro-2-trifluoromethylbenzoyl)-, pentadecyl ester. D-alanine, n-(4-fluoro-2-trifluoromethylbenzoyl)-, heptyl ester.

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