Chemical Properties of D-Alanine, N-(4-ethylbenzoyl)-, tetradecyl ester

D-Alanine, N-(4-ethylbenzoyl)-, tetradecyl ester

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InChI
InChI=1S/C26H43NO3/c1-4-6-7-8-9-10-11-12-13-14-15-16-21-30-26(29)22(3)27-25(28)24-19-17-23(5-2)18-20-24/h17-20,22H,4-16,21H2,1-3H3,(H,27,28)
InChI Key
DJTKCUAQAAQHIN-UHFFFAOYSA-N
Formula
C26H43NO3
SMILES
CCCCCCCCCCCCCCOC(=O)C(C)NC(=O)c1ccc(CC)cc1
Molecular Weight1
417.62
Sources

Physical Properties

Property Value Unit Source
Δf -5.07 kJ/mol Joback Calculated Property
Δfgas -664.10 kJ/mol Joback Calculated Property
Δfus 62.71 kJ/mol Joback Calculated Property
Δvap 98.36 kJ/mol Joback Calculated Property
logPoct/wat 6.61 Crippen Calculated Property
Pc 936.35 kPa Joback Calculated Property
Tboil 1005.83 K Joback Calculated Property
Tc 1232.32 K Joback Calculated Property
Tfus 581.47 K Joback Calculated Property
Vc 1.44 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1275.93 J/mol×K 1005.83 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 1
-CH3 3
=CH- (ring) 4
=C< (ring) 2
-CH2- 14
>NH 1
>C=O (nonring) 2

Similar Compounds

D-Alanine, N-(4-ethylbenzoyl)-, undecyl ester. D-Alanine, N-(4-ethylbenzoyl)-, tridecyl ester. D-Alanine, N-(4-ethylbenzoyl)-, nonyl ester. D-Alanine, N-(4-ethylbenzoyl)-, dodecyl ester. D-Alanine, N-(4-ethylbenzoyl)-, decyl ester. D-Alanine, N-(4-ethylbenzoyl)-, hexadecyl ester. D-Alanine, N-(4-ethylbenzoyl)-, heptadecyl ester. D-Alanine, N-(4-ethylbenzoyl)-, pentadecyl ester. D-Alanine, N-(4-ethylbenzoyl)-, heptyl ester. D-Alanine, N-(4-ethylbenzoyl)-, hexyl ester. D-Alanine, N-(4-ethylbenzoyl)-, pentyl ester. D-Alanine, N-(4-ethylbenzoyl)-, isohexyl ester. D-Alanine, N-(4-butylbenzoyl)-, tridecyl ester. D-Alanine, N-(4-butylbenzoyl)-, dodecyl ester. D-Alanine, N-(4-butylbenzoyl)-, pentadecyl ester.

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