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

D-alanine, n-butoxycarbonyl-, hexadecyl ester

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InChI
InChI=1S/C24H47NO4/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-21-28-23(26)22(3)25-24(27)29-20-7-5-2/h22H,4-21H2,1-3H3,(H,25,27)
InChI Key
HBZYMZNZFCEUHE-UHFFFAOYSA-N
Formula
C24H47NO4
SMILES
CCCCCCCCCCCCCCCCOC(=O)C(C)NC(=O)OCCCC
Molecular Weight1
413.63
Sources

Physical Properties

Property Value Unit Source
Δf -229.69 kJ/mol Joback Calculated Property
Δfgas -980.10 kJ/mol Joback Calculated Property
Δfus 65.07 kJ/mol Joback Calculated Property
Δvap 93.38 kJ/mol Joback Calculated Property
logPoct/wat 6.93 Crippen Calculated Property
Pc 860.49 kPa Joback Calculated Property
Tboil 950.83 K Joback Calculated Property
Tc 1168.49 K Joback Calculated Property
Tfus 542.22 K Joback Calculated Property
Vc 1.46 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1283.65 J/mol×K 950.83 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 2
-CH3 3
-CH2- 18
>NH 1
>C=O (nonring) 2

Similar Compounds

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

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