Chemical Properties of .BETA.-alanine, n-(4-butylbenzoyl)-, isobutyl ester

.BETA.-alanine, n-(4-butylbenzoyl)-, isobutyl ester

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InChI
InChI=1S/C18H27NO3/c1-4-5-6-15-7-9-16(10-8-15)18(21)19-12-11-17(20)22-13-14(2)3/h7-10,14H,4-6,11-13H2,1-3H3,(H,19,21)
InChI Key
JKJDPQSTDFTUNG-UHFFFAOYSA-N
Formula
C18H27NO3
SMILES
CCCCc1ccc(C(=O)NCCC(=O)OCC(C)C)cc1
Molecular Weight1
305.41
Sources

Physical Properties

Property Value Unit Source
Δf -72.43 kJ/mol Joback Calculated Property
Δfgas -498.98 kJ/mol Joback Calculated Property
Δfus 41.99 kJ/mol Joback Calculated Property
Δvap 80.55 kJ/mol Joback Calculated Property
logPoct/wat 3.35 Crippen Calculated Property
Pc 1600.00 kPa Joback Calculated Property
Tboil 822.79 K Joback Calculated Property
Tc 1027.52 K Joback Calculated Property
Tfus 491.31 K Joback Calculated Property
Vc 0.99 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 791.25 J/mol×K 822.79 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 1
>C=O (nonring) 2
=CH- (ring) 4
=C< (ring) 2
-CH2- 6
>NH 1
-CH3 3

Similar Compounds

.BETA.-alanine, n-(4-butylbenzoyl)-, propyl ester. .BETA.-alanine, n-(4-butylbenzoyl)-, ethyl ester. «beta»-Alanine, N-(4-butylbenzoyl)-, butyl ester. .BETA.-alanine, n-(4-butylbenzoyl)-, pentyl ester. .BETA.-alanine, n-(4-ethylbenzoyl)-, isobutyl ester. «beta»-Alanine, N-(4-butylbenzoyl)-, hexyl ester. .BETA.-alanine, n-(4-butylbenzoyl)-, isohexyl ester. .BETA.-alanine, n-(4-butylbenzoyl)-, heptyl ester. «beta»-Alanine, N-(4-butylbenzoyl)-, decyl ester. «beta»-Alanine, N-(4-butylbenzoyl)-, octyl ester. «beta»-Alanine, N-(4-butylbenzoyl)-, undecyl ester. .beta.-Alanine, N-(4-butylbenzoyl)-, nonyl ester. .BETA.-alanine, n-(4-ethylbenzoyl)-, propyl ester. .BETA.-alanine, n-(4-methylbenzoyl)-, isobutyl ester. .BETA.-alanine, n-(4-ethylbenzoyl)-, isohexyl ester.

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