Chemical Properties of D-alanine, n-ethoxycarbonyl-, hexyl ester

D-alanine, n-ethoxycarbonyl-, hexyl ester

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InChI
InChI=1S/C12H23NO4/c1-4-6-7-8-9-17-11(14)10(3)13-12(15)16-5-2/h10H,4-9H2,1-3H3,(H,13,15)
InChI Key
VXMQTKSUZIKFJU-UHFFFAOYSA-N
Formula
C12H23NO4
SMILES
CCCCCCOC(=O)C(C)NC(=O)OCC
Molecular Weight1
245.32
Sources

Physical Properties

Property Value Unit Source
Δf -330.73 kJ/mol Joback Calculated Property
Δfgas -732.42 kJ/mol Joback Calculated Property
Δfus 33.99 kJ/mol Joback Calculated Property
Δvap 66.67 kJ/mol Joback Calculated Property
logPoct/wat 2.24 Crippen Calculated Property
Pc 1963.07 kPa Joback Calculated Property
Tboil 676.27 K Joback Calculated Property
Tc 858.80 K Joback Calculated Property
Tfus 406.98 K Joback Calculated Property
Vc 0.78 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 572.12 J/mol×K 676.27 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 2
-CH3 3
-CH2- 6
>NH 1
>C=O (nonring) 2

Similar Compounds

D-alanine, n-ethoxycarbonyl-, heptyl ester. D-alanine, n-ethoxycarbonyl-, heptadecyl ester. D-alanine, n-ethoxycarbonyl-, octyl ester. D-alanine, n-ethoxycarbonyl-, nonyl ester. D-alanine, n-ethoxycarbonyl-, pentyl ester. D-alanine, n-butoxycarbonyl-, hexyl ester. D-alanine, n-butoxycarbonyl-, hexadecyl ester. D-alanine, n-butoxycarbonyl-, dodecyl ester. D-alanine, n-butoxycarbonyl-, octadecyl ester. D-alanine, n-butoxycarbonyl-, pentyl ester. D-alanine, n-allyloxycarbonyl-, nonyl ester. D-alanine, n-propargyloxycarbonyl-, tridecyl ester. D-alanine, n-allyloxycarbonyl-, tridecyl ester. D-alanine, n-propargyloxycarbonyl-, dodecyl ester. D-alanine, n-neopentyloxycarbonyl-, hexyl ester.

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