Chemical Properties of L-valine, n-(3-cyclopentylpropionyl)-, methyl ester

L-valine, n-(3-cyclopentylpropionyl)-, methyl ester

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InChI
InChI=1S/C14H25NO3/c1-10(2)13(14(17)18-3)15-12(16)9-8-11-6-4-5-7-11/h10-11,13H,4-9H2,1-3H3,(H,15,16)
InChI Key
GWMQERYZEILNGH-UHFFFAOYSA-N
Formula
C14H25NO3
SMILES
COC(=O)C(NC(=O)CCC1CCCC1)C(C)C
Molecular Weight1
255.35
Sources

Physical Properties

Property Value Unit Source
Δf -174.78 kJ/mol Joback Calculated Property
Δfgas -586.28 kJ/mol Joback Calculated Property
Δfus 28.39 kJ/mol Joback Calculated Property
Δvap 68.58 kJ/mol Joback Calculated Property
logPoct/wat 2.27 Crippen Calculated Property
Pc 1985.89 kPa Joback Calculated Property
Tboil 714.45 K Joback Calculated Property
Tc 917.44 K Joback Calculated Property
Tfus 403.19 K Joback Calculated Property
Vc 0.81 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 644.11 J/mol×K 714.45 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 2
-O- (nonring) 1
>C=O (nonring) 2
-CH2- 2
>NH 1
-CH3 3
>CH- (ring) 1
-CH2- (ring) 4

Similar Compounds

L-valine, n-capryloyl-, methyl ester. L-valine, n-butyryl-, methyl ester. L-methionine, n-(3-cyclopentylpropionyl)-, methyl ester. Dl-valine, n-acetyl-, methyl ester. (-) Jasmonic acid - (S)-Val conjugate, methyl ester. (+)-Jasmonic acid - (S)-Val conjugate, methyl ester. (-)-Jasmonic acid - (R)-Val conjugate, methyl ester. Homojasmonic acid, Ile conjugate, methyl ester. L-methionine, n-caproyl-, methyl ester. L-leucine, n-pivaloyl-, methyl ester. L-alanine, n-capryloyl-, methyl ester. (-)-Jasmonic acid, Ile-conjugate # 3, methyl ester. (-)-Jasmonic acid, Ile-conjugate # 2, methyl ester. (-)-Jasmonic acid, Ile-conjugate # 1, methyl ester. (+)-Jasmonic acid - (S)-Ile conjugate, methyl ester.

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