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

D-alanine, n-butoxycarbonyl-, hexyl ester

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InChI
InChI=1S/C14H27NO4/c1-4-6-8-9-11-18-13(16)12(3)15-14(17)19-10-7-5-2/h12H,4-11H2,1-3H3,(H,15,17)
InChI Key
RYQWGVFEWVSSJH-UHFFFAOYSA-N
Formula
C14H27NO4
SMILES
CCCCCCOC(=O)C(C)NC(=O)OCCCC
Molecular Weight1
273.37
Sources

Physical Properties

Property Value Unit Source
Δf -313.89 kJ/mol Joback Calculated Property
Δfgas -773.70 kJ/mol Joback Calculated Property
Δfus 39.17 kJ/mol Joback Calculated Property
Δvap 71.12 kJ/mol Joback Calculated Property
logPoct/wat 3.02 Crippen Calculated Property
Pc 1667.33 kPa Joback Calculated Property
Tboil 722.03 K Joback Calculated Property
Tc 903.69 K Joback Calculated Property
Tfus 429.52 K Joback Calculated Property
Vc 0.90 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 681.45 J/mol×K 722.03 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 2
-CH3 3
-CH2- 8
>NH 1
>C=O (nonring) 2

Similar Compounds

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-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-ethoxycarbonyl-, pentyl ester. D-alanine, n-neopentyloxycarbonyl-, hexyl ester. D-alanine, n-neopentyloxycarbonyl-, heptyl ester. D-alanine, n-neopentyloxycarbonyl-, undecyl ester. D-alanine, n-neopentyloxycarbonyl-, tetradecyl ester. D-alanine, n-neopentyloxycarbonyl-, decyl ester.

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