Chemical Properties of D-alanine, n-(2-fluoro-5-trifluoromethylbenzoyl)-, tetradecyl ester

D-alanine, n-(2-fluoro-5-trifluoromethylbenzoyl)-, tetradecyl ester

Download as PDF file Download as Excel file Download as 2D mole file Predict properties

InChI
InChI=1S/C25H37F4NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-33-24(32)19(2)30-23(31)21-18-20(25(27,28)29)15-16-22(21)26/h15-16,18-19H,3-14,17H2,1-2H3,(H,30,31)
InChI Key
WTAGEOCMIROYDT-UHFFFAOYSA-N
Formula
C25H37F4NO3
SMILES
CCCCCCCCCCCCCCOC(=O)C(C)NC(=O)c1cc(C(F)(F)F)ccc1F
Molecular Weight1
475.56
Sources

Physical Properties

Property Value Unit Source
Δf -799.52 kJ/mol Joback Calculated Property
Δfgas -1448.12 kJ/mol Joback Calculated Property
Δfus 64.64 kJ/mol Joback Calculated Property
Δvap 92.23 kJ/mol Joback Calculated Property
logPoct/wat 7.21 Crippen Calculated Property
Pc 892.13 kPa Joback Calculated Property
Tboil 981.78 K Joback Calculated Property
Tc 1205.47 K Joback Calculated Property
Tfus 587.50 K Joback Calculated Property
Vc 1.45 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1239.87 J/mol×K 981.78 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 1
-CH3 2
=CH- (ring) 3
=C< (ring) 3
-CH2- 13
-F 4
>C< 1
>NH 1
>C=O (nonring) 2

Similar Compounds

D-alanine, n-(2-fluoro-5-trifluoromethylbenzoyl)-, nonadecyl ester. D-alanine, n-(2-fluoro-5-trifluoromethylbenzoyl)-, decyl ester. D-alanine, n-(2-fluoro-5-trifluoromethylbenzoyl)-, eicosyl ester. D-alanine, n-(2-fluoro-5-trifluoromethylbenzoyl)-, pentadecyl ester. D-alanine, n-(2-fluoro-5-trifluoromethylbenzoyl)-, heptyl ester. D-alanine, n-(2-fluoro-5-trifluoromethylbenzoyl)-, hexyl ester. D-alanine, n-(2-fluoro-5-trifluoromethylbenzoyl)-, pentyl ester. D-alanine, n-(2-fluoro-3-trifluoromethylbenzoyl)-, tridecyl ester. D-alanine, n-(2-fluoro-3-trifluoromethylbenzoyl)-, octyl ester. D-alanine, n-(2-fluoro-3-trifluoromethylbenzoyl)-, eicosyl ester. D-alanine, n-(2-fluoro-3-trifluoromethylbenzoyl)-, decyl ester. D-alanine, n-(2-fluoro-3-trifluoromethylbenzoyl)-, heptadecyl ester. D-alanine, n-(2-fluoro-3-trifluoromethylbenzoyl)-, nonyl ester. D-alanine, n-(2-fluoro-3-trifluoromethylbenzoyl)-, dodecyl ester. D-alanine, n-(2-fluoro-3-trifluoromethylbenzoyl)-, isobutyl ester.

Find more compounds similar to D-alanine, n-(2-fluoro-5-trifluoromethylbenzoyl)-, tetradecyl ester.

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.