Chemical Properties of .BETA.-alanine, n-(2,3,4-trifluorobenzoyl)-, dodecyl ester

.BETA.-alanine, n-(2,3,4-trifluorobenzoyl)-, dodecyl ester

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InChI
InChI=1S/C22H32F3NO3/c1-2-3-4-5-6-7-8-9-10-11-16-29-19(27)14-15-26-22(28)17-12-13-18(23)21(25)20(17)24/h12-13H,2-11,14-16H2,1H3,(H,26,28)
InChI Key
PAWDLTABFBISKR-UHFFFAOYSA-N
Formula
C22H32F3NO3
SMILES
CCCCCCCCCCCCOC(=O)CCNC(=O)c1ccc(F)c(F)c1F
Molecular Weight1
415.49
Sources

Physical Properties

Property Value Unit Source
Δf -640.00 kJ/mol Joback Calculated Property
Δfgas -1187.53 kJ/mol Joback Calculated Property
Δfus 64.34 kJ/mol Joback Calculated Property
Δvap 88.72 kJ/mol Joback Calculated Property
logPoct/wat 5.69 Crippen Calculated Property
Pc 1070.06 kPa Joback Calculated Property
Tboil 922.52 K Joback Calculated Property
Tc 1129.48 K Joback Calculated Property
Tfus 578.20 K Joback Calculated Property
Vc 1.28 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1048.02 J/mol×K 922.52 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

.BETA.-alanine, n-(2,3,4-trifluorobenzoyl)-, decyl ester. .BETA.-alanine, n-(2,3,4-trifluorobenzoyl)-, pentadecyl ester. .BETA.-alanine, n-(2,3,4-trifluorobenzoyl)-, tetradecyl ester. .BETA.-alanine, n-(2,3,4-trifluorobenzoyl)-, undecyl ester. .BETA.-alanine, n-(2,3,4-trifluorobenzoyl)-, nonyl ester. .BETA.-alanine, n-(2,3,4-trifluorobenzoyl)-, heptyl ester. .BETA.-alanine, n-(2,3,4-trifluorobenzoyl)-, hexyl ester. .BETA.-alanine, n-(2,3,4-trifluorobenzoyl)-, isohexyl ester. .BETA.-alanine, n-(2,3,4-trifluorobenzoyl)-, propyl ester. .BETA.-alanine, n-(2,3,4-trifluorobenzoyl)-, ethyl ester. .BETA.- alanine, n-(2,6-difluorobenzoyl)-, tetradecyl ester. .BETA.-alanine, n-(2,6-difluorobenzoyl)-, nonyl ester. .BETA.-alanine, n-(2,6-difluorobenzoyl)-, decyl ester. .BETA.-alanine, n-(2,6-difluorobenzoyl)-, undecyl ester. .BETA.-alanine, n-(2,6-difluorobenzoyl)-, dodecyl ester.

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