Chemical Properties of D-Alanine, N-(3-anisoyl)-, undecyl ester

D-Alanine, N-(3-anisoyl)-, undecyl ester

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InChI
InChI=1S/C22H35NO4/c1-4-5-6-7-8-9-10-11-12-16-27-22(25)18(2)23-21(24)19-14-13-15-20(17-19)26-3/h13-15,17-18H,4-12,16H2,1-3H3,(H,23,24)
InChI Key
BTFFXSUQXKHSAQ-UHFFFAOYSA-N
Formula
C22H35NO4
SMILES
CCCCCCCCCCCOC(=O)C(C)NC(=O)c1cccc(OC)c1
Molecular Weight1
377.52
Sources

Physical Properties

Property Value Unit Source
Δf -143.75 kJ/mol Joback Calculated Property
Δfgas -713.76 kJ/mol Joback Calculated Property
Δfus 53.54 kJ/mol Joback Calculated Property
Δvap 91.86 kJ/mol Joback Calculated Property
logPoct/wat 4.89 Crippen Calculated Property
Pc 1188.24 kPa Joback Calculated Property
Tboil 936.73 K Joback Calculated Property
Tc 1148.47 K Joback Calculated Property
Tfus 558.62 K Joback Calculated Property
Vc 1.24 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1057.99 J/mol×K 936.73 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- 10
>NH 1
-CH3 3

Similar Compounds

D-Alanine, N-(3-anisoyl)-, nonyl ester. D-Alanine, N-(3-anisoyl)-, dodecyl ester. D-Alanine, N-(3-anisoyl)-, hexadecyl ester. D-Alanine, N-(3-anisoyl)-, tridecyl ester. D-Alanine, N-(3-anisoyl)-, pentadecyl ester. D-Alanine, N-(3-anisoyl)-, octyl ester. D-Alanine, N-(3-anisoyl)-, heptadecyl ester. D-Alanine, N-(3-anisoyl)-, tetradecyl ester. D-Alanine, N-(3-anisoyl)-, heptyl ester. D-Alanine, N-(3-anisoyl)-, pentyl ester. D-Alanine, N-(3-anisoyl)-, butyl ester. D-Alanine, N-(3-anisoyl)-, isohexyl ester. L-alanine, n-(m-anisoyl)-, methyl ester. D-alanine, n-(4-anisoyl)-, undecyl ester. D-Alanine, N-(4-anisoyl)-, dodecyl ester.

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