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

D-alanine, n-butoxycarbonyl-, octadecyl ester

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InChI
InChI=1S/C26H51NO4/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-30-25(28)24(3)27-26(29)31-22-7-5-2/h24H,4-23H2,1-3H3,(H,27,29)
InChI Key
OBPINUBELRNMIF-UHFFFAOYSA-N
Formula
C26H51NO4
SMILES
CCCCCCCCCCCCCCCCCCOC(=O)C(C)NC(=O)OCCCC
Molecular Weight1
441.69
Sources

Physical Properties

Property Value Unit Source
Δf -212.85 kJ/mol Joback Calculated Property
Δfgas -1021.38 kJ/mol Joback Calculated Property
Δfus 70.25 kJ/mol Joback Calculated Property
Δvap 97.83 kJ/mol Joback Calculated Property
logPoct/wat 7.71 Crippen Calculated Property
Pc 771.18 kPa Joback Calculated Property
Tboil 996.59 K Joback Calculated Property
Tc 1233.25 K Joback Calculated Property
Tfus 564.76 K Joback Calculated Property
Vc 1.57 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1411.28 J/mol×K 996.59 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 2
>C=O (nonring) 2
-CH2- 20
>NH 1
-CH3 3

Similar Compounds

D-alanine, n-butoxycarbonyl-, dodecyl ester. D-alanine, n-butoxycarbonyl-, hexadecyl 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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