Chemical Properties of D-Alanine, N-(4-anisoyl)-, pentadecyl ester

D-Alanine, N-(4-anisoyl)-, pentadecyl ester

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InChI
InChI=1S/C26H43NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-21-31-26(29)22(2)27-25(28)23-17-19-24(30-3)20-18-23/h17-20,22H,4-16,21H2,1-3H3,(H,27,28)
InChI Key
JQRCMMAKIWVNMN-UHFFFAOYSA-N
Formula
C26H43NO4
SMILES
CCCCCCCCCCCCCCCOC(=O)C(C)NC(=O)c1ccc(OC)cc1
Molecular Weight1
433.62
Sources

Physical Properties

Property Value Unit Source
Δf -110.07 kJ/mol Joback Calculated Property
Δfgas -796.32 kJ/mol Joback Calculated Property
Δfus 63.90 kJ/mol Joback Calculated Property
Δvap 100.77 kJ/mol Joback Calculated Property
logPoct/wat 6.448 Crippen Calculated Property
Pc 926.68 kPa Joback Calculated Property
Tboil 1028.25 K Joback Calculated Property
Tc 1261.50 K Joback Calculated Property
Tfus 603.70 K Joback Calculated Property
Vc 1.460 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1304.79 J/mol×K 1028.25 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- 14
>NH 1
-CH3 3

Similar Compounds

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)-, 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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