Chemical Properties of .BETA.-alanine, n-(3-trifluoromethylbenzoyl)-, tetradecyl ester

.BETA.-alanine, n-(3-trifluoromethylbenzoyl)-, tetradecyl ester

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InChI
InChI=1S/C25H38F3NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-19-32-23(30)17-18-29-24(31)21-15-14-16-22(20-21)25(26,27)28/h14-16,20H,2-13,17-19H2,1H3,(H,29,31)
InChI Key
KGKPYYSKXZMVDE-UHFFFAOYSA-N
Formula
C25H38F3NO3
SMILES
CCCCCCCCCCCCCCOC(=O)CCNC(=O)c1cccc(C(F)(F)F)c1
Molecular Weight1
457.57
Sources

Physical Properties

Property Value Unit Source
Δf -592.64 kJ/mol Joback Calculated Property
Δfgas -1235.26 kJ/mol Joback Calculated Property
Δfus 65.47 kJ/mol Joback Calculated Property
Δvap 92.77 kJ/mol Joback Calculated Property
logPoct/wat 7.070 Crippen Calculated Property
Pc 920.50 kPa Joback Calculated Property
Tboil 977.97 K Joback Calculated Property
Tc 1199.52 K Joback Calculated Property
Tfus 589.39 K Joback Calculated Property
Vc 1.435 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1233.38 J/mol×K 977.97 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-F 3
=CH- (ring) 4
=C< (ring) 2
-CH2- 15
>C< 1
>NH 1
>C=O (nonring) 2
-CH3 1

Similar Compounds

.BETA.-alanine, n-(3-trifluoromethylbenzoyl)-, hexadecyl ester. .BETA.-alanine, n-(3-trifluoromethylbenzoyl)-, nonyl ester. .BETA.-alanine, n-(3-trifluoromethylbenzoyl)-, dodecyl ester. .BETA.-alanine, n-(3-trifluoromethylbenzoyl)-, octyl ester. .BETA.-alanine, n-(3-trifluoromethylbenzoyl)-, decyl ester. .BETA.-alanine, n-(3-trifluoromethylbenzoyl)-, heptyl ester. .BETA.-alanine, n-(3-trifluoromethylbenzoyl)-, hexyl ester. .BETA.-alanine, n-(3-trifluoromethylbenzoyl)-, isohexyl ester. .BETA.-alanine, n-(3-trifluoromethylbenzoyl)-, butyl ester. .BETA.-alanine, n-(3-trifluoromethylbenzoyl)-, propyl ester. .BETA.-alanine, n-(3-methylbenzoyl)-, decyl ester. .BETA.-alanine, n-(3-methylbenzoyl)-, octyl ester. .BETA.-alanine, n-(3-methylbenzoyl)-, undecyl ester. .BETA.-alanine, n-(3-methylbenzoyl)-, heptyl ester. .BETA.-alanine, n-(3-methylbenzoyl)-, isohexyl ester.

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