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

D-alanine, n-neopentyloxycarbonyl-, octadecyl ester

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InChI
InChI=1S/C27H53NO4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-31-25(29)24(2)28-26(30)32-23-27(3,4)5/h24H,6-23H2,1-5H3,(H,28,30)
InChI Key
XNGKRKVGOKEXCU-UHFFFAOYSA-N
Formula
C27H53NO4
SMILES
CCCCCCCCCCCCCCCCCCOC(=O)C(C)NC(=O)OCC(C)(C)C
Molecular Weight1
455.71
Sources

Physical Properties

Property Value Unit Source
Δf -201.59 kJ/mol Joback Calculated Property
Δfgas -1050.77 kJ/mol Joback Calculated Property
Δfus 65.42 kJ/mol Joback Calculated Property
Δvap 98.76 kJ/mol Joback Calculated Property
logPoct/wat 7.95 Crippen Calculated Property
Pc 739.22 kPa Joback Calculated Property
Tboil 1016.24 K Joback Calculated Property
Tc 1256.74 K Joback Calculated Property
Tfus 578.45 K Joback Calculated Property
Vc 1.61 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1475.30 J/mol×K 1016.24 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 2
>C=O (nonring) 2
-CH2- 18
>C< 1
>NH 1
-CH3 5

Similar Compounds

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

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