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

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

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InChI
InChI=1S/C20H28F3NO3/c1-2-3-4-5-6-7-8-14-27-18(25)12-13-24-19(26)16-10-9-11-17(15-16)20(21,22)23/h9-11,15H,2-8,12-14H2,1H3,(H,24,26)
InChI Key
AWBYTQJZYZZDCU-UHFFFAOYSA-N
Formula
C20H28F3NO3
SMILES
CCCCCCCCCOC(=O)CCNC(=O)c1cccc(C(F)(F)F)c1
Molecular Weight1
387.44
Sources

Physical Properties

Property Value Unit Source
Δf -634.74 kJ/mol Joback Calculated Property
Δfgas -1132.06 kJ/mol Joback Calculated Property
Δfus 52.52 kJ/mol Joback Calculated Property
Δvap 81.64 kJ/mol Joback Calculated Property
logPoct/wat 5.12 Crippen Calculated Property
Pc 1261.06 kPa Joback Calculated Property
Tboil 863.57 K Joback Calculated Property
Tc 1061.28 K Joback Calculated Property
Tfus 533.04 K Joback Calculated Property
Vc 1.16 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 930.66 J/mol×K 863.57 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-F 3
=CH- (ring) 4
=C< (ring) 2
-CH2- 10
>C< 1
>NH 1
>C=O (nonring) 2
-CH3 1

Similar Compounds

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