Chemical Properties of l-Valine, N-caproyl-, methyl ester

l-Valine, N-caproyl-, methyl ester

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InChI
InChI=1S/C12H23NO3/c1-5-6-7-8-10(14)13-11(9(2)3)12(15)16-4/h9,11H,5-8H2,1-4H3,(H,13,14)
InChI Key
XFEUHQYGLOQDDX-UHFFFAOYSA-N
Formula
C12H23NO3
SMILES
CCCCCC(O)=NC(C(=O)OC)C(C)C
Molecular Weight1
229.32
Sources

Physical Properties

Property Value Unit Source
Δfgas -626.17 kJ/mol Joback Calculated Property
Δvap 70.76 kJ/mol Joback Calculated Property
logPoct/wat 2.72 Crippen Calculated Property
Pc 1864.33 kPa Joback Calculated Property
Tboil 718.11 K Joback Calculated Property
Tc 904.62 K Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
>CH- 2
=C< 1
-N= 1
-OH (alcohol) 1
-CH2- 4
-CH3 4
>C=O (nonring) 1

Similar Compounds

L-Valine, N-(5-chlorovaleryl)-, nonyl ester. L-Valine, N-(3-cyclopentylpropionyl)-, pentyl 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)-, isohexyl ester. L-Valine, N-(3-cyclopentylpropionyl)-, pentadecyl ester. l-Leucine, N-(3-cyclopentylpropionyl)-, methyl ester. l-Alanine, N-(3-cyclopentylpropionyl)-, methyl ester. Pentanedioic acid, 2-octanoylamino, dimethyl ester. L-Valine, N-(3-methylbut-2-enoyl)-, ethyl ester. L-Valine, N-(3-phenylpropionyl)-, hexyl ester. L-Valine, N-(3-methylbut-2-enoyl)-, pentyl ester. L-Valine, N-(3-methylbut-2-enoyl)-, nonyl ester. L-Valine, N-(3-methylbut-2-enoyl)-, dodecyl ester.

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