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

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

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InChI
InChI=1S/C14H16F3NO3/c1-2-8-21-12(19)6-7-18-13(20)10-4-3-5-11(9-10)14(15,16)17/h3-5,9H,2,6-8H2,1H3,(H,18,20)
InChI Key
VDZVFBGKQYVOPY-UHFFFAOYSA-N
Formula
C14H16F3NO3
SMILES
CCCOC(=O)CCNC(=O)c1cccc(C(F)(F)F)c1
Molecular Weight1
303.28
Sources

Physical Properties

Property Value Unit Source
Δf -685.26 kJ/mol Joback Calculated Property
Δfgas -1008.22 kJ/mol Joback Calculated Property
Δfus 36.98 kJ/mol Joback Calculated Property
Δvap 68.29 kJ/mol Joback Calculated Property
logPoct/wat 2.78 Crippen Calculated Property
Pc 1992.98 kPa Joback Calculated Property
Tboil 726.29 K Joback Calculated Property
Tc 921.44 K Joback Calculated Property
Tfus 465.42 K Joback Calculated Property
Vc 0.82 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 593.07 J/mol×K 726.29 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

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

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