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

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

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InChI
InChI=1S/C31H49F4NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-39-30(38)25(2)36-29(37)28-26(31(33,34)35)22-21-23-27(28)32/h21-23,25H,3-20,24H2,1-2H3,(H,36,37)
InChI Key
QZVPWDCFCFXWSP-UHFFFAOYSA-N
Formula
C31H49F4NO3
SMILES
CCCCCCCCCCCCCCCCCCCCOC(=O)C(C)NC(=O)c1c(F)cccc1C(F)(F)F
Molecular Weight1
559.72
Sources

Physical Properties

Property Value Unit Source
Δf -749.00 kJ/mol Joback Calculated Property
Δfgas -1571.96 kJ/mol Joback Calculated Property
Δfus 80.18 kJ/mol Joback Calculated Property
Δvap 105.59 kJ/mol Joback Calculated Property
logPoct/wat 9.55 Crippen Calculated Property
Pc 649.44 kPa Joback Calculated Property
Tboil 1119.06 K Joback Calculated Property
Tc 1415.58 K Joback Calculated Property
Tfus 655.12 K Joback Calculated Property
Vc 1.78 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1618.87 J/mol×K 1119.06 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 1
-F 4
=CH- (ring) 3
=C< (ring) 3
-CH2- 19
>C< 1
>NH 1
>C=O (nonring) 2
-CH3 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)-, decyl 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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