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

D-alanine, n-neopentyloxycarbonyl-, decyl ester

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InChI
InChI=1S/C19H37NO4/c1-6-7-8-9-10-11-12-13-14-23-17(21)16(2)20-18(22)24-15-19(3,4)5/h16H,6-15H2,1-5H3,(H,20,22)
InChI Key
XHJBKIPBZAGJJC-UHFFFAOYSA-N
Formula
C19H37NO4
SMILES
CCCCCCCCCCOC(=O)C(C)NC(=O)OCC(C)(C)C
Molecular Weight1
343.50
Sources

Physical Properties

Property Value Unit Source
Δf -268.95 kJ/mol Joback Calculated Property
Δfgas -885.65 kJ/mol Joback Calculated Property
Δfus 44.70 kJ/mol Joback Calculated Property
Δvap 80.95 kJ/mol Joback Calculated Property
logPoct/wat 4.83 Crippen Calculated Property
Pc 1180.90 kPa Joback Calculated Property
Tboil 833.20 K Joback Calculated Property
Tc 1024.71 K Joback Calculated Property
Tfus 488.29 K Joback Calculated Property
Vc 1.17 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 974.04 J/mol×K 833.2 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 2
>C=O (nonring) 2
-CH2- 10
>C< 1
>NH 1
-CH3 5

Similar Compounds

D-alanine, n-neopentyloxycarbonyl-, octadecyl ester. D-alanine, n-neopentyloxycarbonyl-, undecyl ester. D-alanine, n-neopentyloxycarbonyl-, tetradecyl 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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