Chemical Properties of (-)-Jasmonic acid - (R)-Val conjugate, methyl ester

(-)-Jasmonic acid - (R)-Val conjugate, methyl ester

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InChI
InChI=1S/C18H29NO4/c1-5-6-7-8-14-13(9-10-15(14)20)11-16(21)19-17(12(2)3)18(22)23-4/h6-7,12-14,17H,5,8-11H2,1-4H3,(H,19,21)/b7-6-/t13-,14-,17-/m0/s1
InChI Key
GDPPAUUXPQZOBY-KVRUJTASSA-N
Formula
C18H29NO4
SMILES
CCC=CCC1C(=O)CCC1CC(=O)NC(C(=O)OC)C(C)C
Molecular Weight1
323.43
Sources

Physical Properties

Property Value Unit Source
Δf -191.18 kJ/mol Joback Calculated Property
Δfgas -709.66 kJ/mol Joback Calculated Property
Δfus 39.53 kJ/mol Joback Calculated Property
Δvap 81.38 kJ/mol Joback Calculated Property
logPoct/wat 2.64 Crippen Calculated Property
Pc 1509.33 kPa Joback Calculated Property
Tboil 873.28 K Joback Calculated Property
Tc 1086.95 K Joback Calculated Property
Tfus 507.17 K Joback Calculated Property
Vc 1.02 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 888.39 J/mol×K 873.28 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

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

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