Chemical Properties of L-alanine, n-(5-chlorovaleryl)-, methyl ester

L-alanine, n-(5-chlorovaleryl)-, methyl ester

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InChI
InChI=1S/C9H16ClNO3/c1-7(9(13)14-2)11-8(12)5-3-4-6-10/h7H,3-6H2,1-2H3,(H,11,12)
InChI Key
XARKWCNFPJCPGN-UHFFFAOYSA-N
Formula
C9H16ClNO3
SMILES
COC(=O)C(C)NC(=O)CCCCCl
Molecular Weight1
221.68
Sources

Physical Properties

Property Value Unit Source
Δf -262.92 kJ/mol Joback Calculated Property
Δfgas -554.02 kJ/mol Joback Calculated Property
Δfus 29.23 kJ/mol Joback Calculated Property
Δvap 61.96 kJ/mol Joback Calculated Property
logPoct/wat 1.07 Crippen Calculated Property
Pc 2527.73 kPa Joback Calculated Property
Tboil 622.64 K Joback Calculated Property
Tc 814.83 K Joback Calculated Property
Tfus 380.86 K Joback Calculated Property
Vc 0.65 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 419.91 J/mol×K 622.64 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

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

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