Chemical Properties of .beta.-Alanine, N-(4-trifluoromethylbenzoyl)-, undecyl ester

.beta.-Alanine, N-(4-trifluoromethylbenzoyl)-, undecyl ester

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InChI
InChI=1S/C22H32F3NO3/c1-2-3-4-5-6-7-8-9-10-17-29-20(27)15-16-26-21(28)18-11-13-19(14-12-18)22(23,24)25/h11-14H,2-10,15-17H2,1H3,(H,26,28)
InChI Key
SZGJZHCCTKJKMS-UHFFFAOYSA-N
Formula
C22H32F3NO3
SMILES
CCCCCCCCCCCOC(=O)CCNC(=O)c1ccc(C(F)(F)F)cc1
Molecular Weight1
415.49
Sources

Physical Properties

Property Value Unit Source
Δf -617.90 kJ/mol Joback Calculated Property
Δfgas -1173.34 kJ/mol Joback Calculated Property
Δfus 57.70 kJ/mol Joback Calculated Property
Δvap 86.10 kJ/mol Joback Calculated Property
logPoct/wat 5.90 Crippen Calculated Property
Pc 1105.21 kPa Joback Calculated Property
Tboil 909.33 K Joback Calculated Property
Tc 1113.71 K Joback Calculated Property
Tfus 555.58 K Joback Calculated Property
Vc 1.27 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1049.85 J/mol×K 909.33 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-F 3
=CH- (ring) 4
=C< (ring) 2
-CH2- 12
>C< 1
>NH 1
>C=O (nonring) 2
-CH3 1

Similar Compounds

.BETA.-alanine, n-(4-trifluoromethylbenzoyl)-, octyl ester. .BETA.-alanine, n-(4-trifluoromethylbenzoyl)-, hexadecyl ester. .BETA.-alanine, n-(4-trifluoromethylbenzoyl)-, tetradecyl ester. .BETA.-alanine, n-(4-trifluoromethylbenzoyl)-, heptyl ester. .BETA.-alanine, n-(4-trifluoromethylbenzoyl)-, hexyl ester. «beta»-Alanine, N-(4-methylbezoyl)-, tetradecyl ester. «beta»-Alanine, N-(4-methylbenzoyl)-, dodecyl ester. .BETA.-alanine, n-(4-methylbenzoyl)-, decyl ester. .BETA.-alanine, n-(4-methylbenzoyl)-, undecyl ester. .BETA.-alanine, n-(4-methylbenzoyl)-, octyl ester. .BETA.-alanine, n-(4-methylbenzoyl)-, nonyl ester. .BETA.-alanine, n-(4-methylbenzoyl)-, heptyl ester. .BETA.-alanine, n-(4-methylbenzoyl)-, hexyl ester. .BETA.-alanine, n-(4-methylbenzoyl)-, pentyl ester. «beta»-Alanine, N-(4-ethylbenzoyl)-, undecyl ester.

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