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

D-alanine, n-neopentyloxycarbonyl-, hexyl ester

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InChI
InChI=1S/C15H29NO4/c1-6-7-8-9-10-19-13(17)12(2)16-14(18)20-11-15(3,4)5/h12H,6-11H2,1-5H3,(H,16,18)
InChI Key
NKUZRLRYPFTVJC-UHFFFAOYSA-N
Formula
C15H29NO4
SMILES
CCCCCCOC(=O)C(C)NC(=O)OCC(C)(C)C
Molecular Weight1
287.40
Sources

Physical Properties

Property Value Unit Source
Δf -302.63 kJ/mol Joback Calculated Property
Δfgas -803.09 kJ/mol Joback Calculated Property
Δfus 34.34 kJ/mol Joback Calculated Property
Δvap 72.05 kJ/mol Joback Calculated Property
logPoct/wat 3.27 Crippen Calculated Property
Pc 1567.23 kPa Joback Calculated Property
Tboil 741.68 K Joback Calculated Property
Tc 929.19 K Joback Calculated Property
Tfus 443.21 K Joback Calculated Property
Vc 0.94 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 739.80 J/mol×K 741.68 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 2
>C=O (nonring) 2
-CH2- 6
>C< 1
>NH 1
-CH3 5

Similar Compounds

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

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