Chemical Properties of L-Valine, N-(3-phenylpropionyl)-, heptyl ester

L-Valine, N-(3-phenylpropionyl)-, heptyl ester

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InChI
InChI=1S/C21H33NO3/c1-4-5-6-7-11-16-25-21(24)20(17(2)3)22-19(23)15-14-18-12-9-8-10-13-18/h8-10,12-13,17,20H,4-7,11,14-16H2,1-3H3,(H,22,23)
InChI Key
RXPPSSNUBHLGIK-UHFFFAOYSA-N
Formula
C21H33NO3
SMILES
CCCCCCCOC(=O)C(N=C(O)CCc1ccccc1)C(C)C
Molecular Weight1
347.49
Sources

Physical Properties

Property Value Unit Source
Δfgas -575.40 kJ/mol Joback Calculated Property
Δvap 93.07 kJ/mol Joback Calculated Property
logPoct/wat 5.11 Crippen Calculated Property
Pc 1232.01 kPa Joback Calculated Property
Tboil 950.71 K Joback Calculated Property
Tc 1165.66 K Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 2
-O- (nonring) 1
=C< 1
-N= 1
>C=O (nonring) 1
-OH (alcohol) 1
=CH- (ring) 5
=C< (ring) 1
-CH2- 8
-CH3 3

Similar Compounds

L-Valine, N-(3-phenylpropionyl)-, octyl ester. L-Valine, N-(3-phenylpropionyl)-, hexyl ester. L-Valine, N-(3-phenylpropionyl)-, pentyl 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)-, pentadecyl ester. L-Valine, N-(3-cyclopentylpropionyl)-, dodecyl ester. L-Valine, N-(3-cyclopentylpropionyl)-, pentyl ester. L-Valine, N-(3-cyclopentylpropionyl)-, isohexyl ester. 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)-, undecyl ester.

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