Chemical Properties of D-alanine, n-butoxycarbonyl-, pentyl ester

D-alanine, n-butoxycarbonyl-, pentyl ester

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InChI
InChI=1S/C13H25NO4/c1-4-6-8-10-17-12(15)11(3)14-13(16)18-9-7-5-2/h11H,4-10H2,1-3H3,(H,14,16)
InChI Key
WUDCQZHJRHIZQG-UHFFFAOYSA-N
Formula
C13H25NO4
SMILES
CCCCCOC(=O)C(C)NC(=O)OCCCC
Molecular Weight1
259.34
Sources

Physical Properties

Property Value Unit Source
Δf -322.31 kJ/mol Joback Calculated Property
Δfgas -753.06 kJ/mol Joback Calculated Property
Δfus 36.58 kJ/mol Joback Calculated Property
Δvap 68.89 kJ/mol Joback Calculated Property
logPoct/wat 2.63 Crippen Calculated Property
Pc 1806.16 kPa Joback Calculated Property
Tboil 699.15 K Joback Calculated Property
Tc 881.01 K Joback Calculated Property
Tfus 418.25 K Joback Calculated Property
Vc 0.84 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 626.17 J/mol×K 699.15 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 2
-CH3 3
-CH2- 7
>NH 1
>C=O (nonring) 2

Similar Compounds

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

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