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

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

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

InChI
InChI=1S/C29H45F4NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-37-28(36)23(2)34-27(35)24-19-20-25(26(30)22-24)29(31,32)33/h19-20,22-23H,3-18,21H2,1-2H3,(H,34,35)
InChI Key
QIEXVSWYEDQGSR-UHFFFAOYSA-N
Formula
C29H45F4NO3
SMILES
CCCCCCCCCCCCCCCCCCOC(=O)C(C)NC(=O)c1ccc(C(F)(F)F)c(F)c1
Molecular Weight1
531.67
Sources

Physical Properties

Property Value Unit Source
Δf -765.84 kJ/mol Joback Calculated Property
Δfgas -1530.68 kJ/mol Joback Calculated Property
Δfus 75.00 kJ/mol Joback Calculated Property
Δvap 101.13 kJ/mol Joback Calculated Property
logPoct/wat 8.77 Crippen Calculated Property
Pc 717.99 kPa Joback Calculated Property
Tboil 1073.30 K Joback Calculated Property
Tc 1339.36 K Joback Calculated Property
Tfus 632.58 K Joback Calculated Property
Vc 1.67 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1490.98 J/mol×K 1073.3 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 1
-CH3 2
=CH- (ring) 3
=C< (ring) 3
-CH2- 17
-F 4
>C< 1
>NH 1
>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)-, pentadecyl 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.

Find more compounds similar to D-alanine, n-(3-fluoro-4-trifluoromethylbenzoyl)-, octadecyl 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.