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

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

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InChI
InChI=1S/C17H25NO4/c1-12(2)7-6-10-22-17(20)13(3)18-16(19)14-8-5-9-15(11-14)21-4/h5,8-9,11-13H,6-7,10H2,1-4H3,(H,18,19)
InChI Key
KFDHKVWDDUDRNC-UHFFFAOYSA-N
Formula
C17H25NO4
SMILES
COc1cccc(C(=O)NC(C)C(=O)OCCCC(C)C)c1
Molecular Weight1
307.38
Sources

Physical Properties

Property Value Unit Source
Δf -188.29 kJ/mol Joback Calculated Property
Δfgas -615.84 kJ/mol Joback Calculated Property
Δfus 37.07 kJ/mol Joback Calculated Property
Δvap 80.35 kJ/mol Joback Calculated Property
logPoct/wat 2.79 Crippen Calculated Property
Pc 1717.45 kPa Joback Calculated Property
Tboil 821.89 K Joback Calculated Property
Tc 1029.57 K Joback Calculated Property
Tfus 487.27 K Joback Calculated Property
Vc 0.95 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 762.65 J/mol×K 821.89 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

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

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