Chemical Properties of .BETA.-alanine, n-(3-methylbenzoyl)-, decyl ester

.BETA.-alanine, n-(3-methylbenzoyl)-, decyl ester

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InChI
InChI=1S/C21H33NO3/c1-3-4-5-6-7-8-9-10-16-25-20(23)14-15-22-21(24)19-13-11-12-18(2)17-19/h11-13,17H,3-10,14-16H2,1-2H3,(H,22,24)
InChI Key
SKUBCRQJFDAIHJ-UHFFFAOYSA-N
Formula
C21H33NO3
SMILES
CCCCCCCCCCOC(=O)CCNC(=O)c1cccc(C)c1
Molecular Weight1
347.49
Sources

Physical Properties

Property Value Unit Source
Δf -44.73 kJ/mol Joback Calculated Property
Δfgas -555.62 kJ/mol Joback Calculated Property
Δfus 53.28 kJ/mol Joback Calculated Property
Δvap 87.62 kJ/mol Joback Calculated Property
logPoct/wat 4.799 Crippen Calculated Property
Pc 1279.16 kPa Joback Calculated Property
Tboil 891.87 K Joback Calculated Property
Tc 1097.18 K Joback Calculated Property
Tfus 540.12 K Joback Calculated Property
Vc 1.169 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 967.75 J/mol×K 891.87 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-CH3 2
=CH- (ring) 4
=C< (ring) 2
-CH2- 11
>NH 1
>C=O (nonring) 2

Similar Compounds

.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. .BETA.-alanine, n-(3-methylbenzoyl)-, butyl ester. .BETA.- alanine, n-(3-methylbenzoyl)-, ethyl ester. .BETA.-alanine, n-(3-methylbenzoyl)-, isobutyl ester. .BETA.-alanine, n-(4-methylbenzoyl)-, undecyl ester. «beta»-Alanine, N-(4-methylbezoyl)-, tetradecyl ester. .BETA.-alanine, n-(4-methylbenzoyl)-, octyl ester. .BETA.-alanine, n-(4-methylbenzoyl)-, nonyl ester. «beta»-Alanine, N-(4-methylbenzoyl)-, dodecyl ester. .BETA.-alanine, n-(4-methylbenzoyl)-, decyl ester. .BETA.-alanine, n-(3-trifluoromethylbenzoyl)-, dodecyl ester. .BETA.-alanine, n-(3-trifluoromethylbenzoyl)-, octyl ester.

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