Chemical Properties of L-Valine, N-(3-methylbut-2-enoyl)-, undecyl ester

L-Valine, N-(3-methylbut-2-enoyl)-, undecyl ester

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InChI
InChI=1S/C21H39NO3/c1-6-7-8-9-10-11-12-13-14-15-25-21(24)20(18(4)5)22-19(23)16-17(2)3/h16,18,20H,6-15H2,1-5H3,(H,22,23)
InChI Key
ZQOMAZTXTZWBCG-UHFFFAOYSA-N
Formula
C21H39NO3
SMILES
CCCCCCCCCCCOC(=O)C(N=C(O)C=C(C)C)C(C)C
Molecular Weight1
353.54
Sources

Physical Properties

Property Value Unit Source
Δfgas -704.50 kJ/mol Joback Calculated Property
Δvap 90.83 kJ/mol Joback Calculated Property
logPoct/wat 6.01 Crippen Calculated Property
Pc 1025.31 kPa Joback Calculated Property
Tboil 928.07 K Joback Calculated Property
Tc 1136.22 K Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

L-Valine, N-(3-methylbut-2-enoyl)-, octyl ester. L-Valine, N-(3-methylbut-2-enoyl)-, dodecyl ester. L-Valine, N-(3-methylbut-2-enoyl)-, decyl ester. L-Valine, N-(3-methylbut-2-enoyl)-, nonyl ester. L-Valine, N-(3-methylbut-2-enoyl)-, pentyl ester. L-Valine, N-(3-methylbut-2-enoyl)-, ethyl ester. L-Valine, N-(5-chlorovaleryl)-, nonyl ester. L-Valine, N-(3-cyclopentylpropionyl)-, undecyl ester. L-Valine, N-(3-cyclopentylpropionyl)-, hexyl ester. L-Valine, N-(3-cyclopentylpropionyl)-, dodecyl ester. L-Valine, N-(3-cyclopentylpropionyl)-, pentadecyl ester. L-Valine, N-(3-cyclopentylpropionyl)-, pentyl ester. L-Valine, N-(3-cyclopentylpropionyl)-, isohexyl ester. L-Valine, N-(3-phenylpropionyl)-, octyl ester. L-Valine, N-(3-phenylpropionyl)-, heptyl ester.

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