Chemical Properties of (-)-Jasmonic acid - (S)-Ala conjugate, methyl ester

(-)-Jasmonic acid - (S)-Ala conjugate, methyl ester

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InChI
InChI=1S/C16H25NO4/c1-4-5-6-7-13-12(8-9-14(13)18)10-15(19)17-11(2)16(20)21-3/h5-6,11-13H,4,7-10H2,1-3H3,(H,17,19)/b6-5-/t11?,12-,13-/m0/s1
InChI Key
KQVCDAGLJZTYOG-ZXRMRLFRSA-N
Formula
C16H25NO4
SMILES
CCC=CCC1C(=O)CCC1CC(=O)NC(C)C(=O)OC
Molecular Weight1
295.37
Sources

Physical Properties

Property Value Unit Source
Δf -205.58 kJ/mol Joback Calculated Property
Δfgas -663.10 kJ/mol Joback Calculated Property
Δfus 37.88 kJ/mol Joback Calculated Property
Δvap 77.31 kJ/mol Joback Calculated Property
logPoct/wat 2.01 Crippen Calculated Property
Pc 1750.67 kPa Joback Calculated Property
Tboil 827.96 K Joback Calculated Property
Tc 1040.89 K Joback Calculated Property
Tfus 499.63 K Joback Calculated Property
Vc 0.92 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 770.19 J/mol×K 827.96 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

(-)-Jasmonic acid - (R)-Val conjugate, methyl ester. (-) Jasmonic acid - (S)-Val conjugate, methyl ester. (+)-Jasmonic acid - (S)-Val conjugate, methyl ester. (-)-Jasmonic acid - (S)-Leu conjugate, methyl ester. (-)-Jasmonic acid, Ile-conjugate # 2, methyl ester. (-)-Jasmonic acid - (S)-Ile conjugate, methyl ester. (+)-Jasmonic acid - (S)-Ile conjugate, methyl ester. (-)-Jasmonic acid, Ile-conjugate # 1, methyl ester. (-)-Jasmonic acid, Ile-conjugate # 3, methyl ester. cis-Jasmonic acid, Ile-conjugate, methyl ester. Dehydrojasmonic acid, Ile conjugate, methyl ester. (-)-Jasmonic acid, (S)-Asp conjugate, methyl ester. (-)-Jasmonic acid, - (S)-Glu conjugate, methyl ester. Homojasmonic acid, Ile conjugate, methyl ester. bis-Homojasmonic acid, Ile conjugate, methyl ester.

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