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

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

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InChI
InChI=1S/C28H47NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-33-28(31)24(2)29-27(30)25-19-21-26(32-3)22-20-25/h19-22,24H,4-18,23H2,1-3H3,(H,29,30)
InChI Key
LPPHJEXVRAJZKH-UHFFFAOYSA-N
Formula
C28H47NO4
SMILES
CCCCCCCCCCCCCCCCCOC(=O)C(C)NC(=O)c1ccc(OC)cc1
Molecular Weight1
461.68
Sources

Physical Properties

Property Value Unit Source
Δf -93.23 kJ/mol Joback Calculated Property
Δfgas -837.60 kJ/mol Joback Calculated Property
Δfus 69.08 kJ/mol Joback Calculated Property
Δvap 105.22 kJ/mol Joback Calculated Property
logPoct/wat 7.23 Crippen Calculated Property
Pc 827.16 kPa Joback Calculated Property
Tboil 1074.01 K Joback Calculated Property
Tc 1325.04 K Joback Calculated Property
Tfus 626.24 K Joback Calculated Property
Vc 1.57 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1430.42 J/mol×K 1074.01 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 2
>C=O (nonring) 2
=CH- (ring) 4
=C< (ring) 2
-CH2- 16
>NH 1
-CH3 3

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)-, decyl ester. D-alanine, n-(4-anisoyl)-, tridecyl ester. D-alanine, n-(4-anisoyl)-, hexadecyl 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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