Chemical Properties of L-alanine, n-butyryl-, methyl ester

L-alanine, n-butyryl-, methyl ester

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InChI
InChI=1S/C8H15NO3/c1-4-5-7(10)9-6(2)8(11)12-3/h6H,4-5H2,1-3H3,(H,9,10)
InChI Key
GTVWZSTVCZTLRU-UHFFFAOYSA-N
Formula
C8H15NO3
SMILES
CCCC(=O)NC(C)C(=O)OC
Molecular Weight1
173.21
Sources

Physical Properties

Property Value Unit Source
Δf -259.41 kJ/mol Joback Calculated Property
Δfgas -517.64 kJ/mol Joback Calculated Property
Δfus 22.44 kJ/mol Joback Calculated Property
Δvap 55.35 kJ/mol Joback Calculated Property
logPoct/wat 0.46 Crippen Calculated Property
Pc 2902.98 kPa Joback Calculated Property
Tboil 562.33 K Joback Calculated Property
Tc 752.51 K Joback Calculated Property
Tfus 339.67 K Joback Calculated Property
Vc 0.54 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 345.83 J/mol×K 562.33 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

L-alanine, n-caproyl-, methyl ester. L-alanine, n-capryloyl-, methyl ester. L-alanine, n-(5-chlorovaleryl)-, methyl ester. L-alanine, n-pivaloyl-, methyl ester. CH3CONHCH(CH3)COOCH3. L-Alanine, N-acetyl-, methyl ester. D-alanine, n-(5-chlorovaleryl)-, butyl ester. D-alanine, n-(5-chlorovaleryl)-, isobutyl ester. D-alanine, n-(5-chlorovaleryl)-, pentyl ester. L-valine, n-butyryl-, methyl ester. D-alanine, n-(5-chlorovaleryl)-, hexyl ester. D-alanine, n-(5-chlorovaleryl)-, heptyl ester. D-alanine, n-(5-chlorovaleryl)-, octyl ester. N-butyryl-dl-homoserine lactone. D-alanine, n-(5-chlorovaleryl)-, isohexyl ester.

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