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

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

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InChI
InChI=1S/C19H26F3NO3/c1-2-3-4-5-6-7-13-26-17(24)11-12-23-18(25)15-9-8-10-16(14-15)19(20,21)22/h8-10,14H,2-7,11-13H2,1H3,(H,23,25)
InChI Key
VLOOGOLQQWVWSX-UHFFFAOYSA-N
Formula
C19H26F3NO3
SMILES
CCCCCCCCOC(=O)CCNC(=O)c1cccc(C(F)(F)F)c1
Molecular Weight1
373.41
Sources

Physical Properties

Property Value Unit Source
Δf -643.16 kJ/mol Joback Calculated Property
Δfgas -1111.42 kJ/mol Joback Calculated Property
Δfus 49.93 kJ/mol Joback Calculated Property
Δvap 79.42 kJ/mol Joback Calculated Property
logPoct/wat 4.73 Crippen Calculated Property
Pc 1351.64 kPa Joback Calculated Property
Tboil 840.69 K Joback Calculated Property
Tc 1036.30 K Joback Calculated Property
Tfus 521.77 K Joback Calculated Property
Vc 1.10 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 872.16 J/mol×K 840.69 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-F 3
=CH- (ring) 4
=C< (ring) 2
-CH2- 9
>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)-, tetradecyl ester. .BETA.-alanine, n-(3-trifluoromethylbenzoyl)-, dodecyl 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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