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

D-alanine, n-neopentyloxycarbonyl-, tridecyl ester

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InChI
InChI=1S/C22H43NO4/c1-6-7-8-9-10-11-12-13-14-15-16-17-26-20(24)19(2)23-21(25)27-18-22(3,4)5/h19H,6-18H2,1-5H3,(H,23,25)
InChI Key
AMECOOPDZSVILG-UHFFFAOYSA-N
Formula
C22H43NO4
SMILES
CCCCCCCCCCCCCOC(=O)C(C)NC(=O)OCC(C)(C)C
Molecular Weight1
385.58
Sources

Physical Properties

Property Value Unit Source
Δf -243.69 kJ/mol Joback Calculated Property
Δfgas -947.57 kJ/mol Joback Calculated Property
Δfus 52.47 kJ/mol Joback Calculated Property
Δvap 87.63 kJ/mol Joback Calculated Property
logPoct/wat 6.00 Crippen Calculated Property
Pc 977.78 kPa Joback Calculated Property
Tboil 901.84 K Joback Calculated Property
Tc 1104.13 K Joback Calculated Property
Tfus 522.10 K Joback Calculated Property
Vc 1.33 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1157.93 J/mol×K 901.84 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
>CH- 1
-CH3 5
-CH2- 13
>C< 1
>NH 1
>C=O (nonring) 2

Similar Compounds

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