Chemical Properties of D-alanine, n-(4-anisoyl)-, hexadecyl ester

D-alanine, n-(4-anisoyl)-, hexadecyl ester

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InChI
InChI=1S/C27H45NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-32-27(30)23(2)28-26(29)24-18-20-25(31-3)21-19-24/h18-21,23H,4-17,22H2,1-3H3,(H,28,29)
InChI Key
UIYHJVULRVFZSW-UHFFFAOYSA-N
Formula
C27H45NO4
SMILES
CCCCCCCCCCCCCCCCOC(=O)C(C)NC(=O)c1ccc(OC)cc1
Molecular Weight1
447.65
Sources

Physical Properties

Property Value Unit Source
Δf -101.65 kJ/mol Joback Calculated Property
Δfgas -816.96 kJ/mol Joback Calculated Property
Δfus 66.49 kJ/mol Joback Calculated Property
Δvap 102.99 kJ/mol Joback Calculated Property
logPoct/wat 6.84 Crippen Calculated Property
Pc 874.80 kPa Joback Calculated Property
Tboil 1051.13 K Joback Calculated Property
Tc 1292.61 K Joback Calculated Property
Tfus 614.97 K Joback Calculated Property
Vc 1.52 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1367.46 J/mol×K 1051.13 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 2
-CH3 3
=CH- (ring) 4
=C< (ring) 2
-CH2- 15
>NH 1
>C=O (nonring) 2

Similar Compounds

D-Alanine, N-(4-anisoyl)-, pentadecyl ester. D-Alanine, N-(4-anisoyl)-, dodecyl ester. D-Alanine, N-(4-anisoyl)-, nonyl ester. D-Alanine, N-(4-anisoyl)-, tetradecyl ester. D-alanine, n-(4-anisoyl)-, octyl ester. D-alanine, n-(4-anisoyl)-, heptadecyl ester. D-alanine, n-(4-anisoyl)-, decyl ester. D-alanine, n-(4-anisoyl)-, tridecyl ester. D-alanine, n-(4-anisoyl)-, undecyl ester. D-alanine, n-(4-anisoyl)-, hexyl ester. D-alanine, n-(4-anisoyl)-, butyl ester. D-Alanine, N-(4-anisoyl)-, propyl ester. l-Alanine, N-(p-anisoyl)-, methyl ester. D-Alanine, N-(3-anisoyl)-, heptadecyl ester. D-Alanine, N-(3-anisoyl)-, nonyl ester.

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