Chemical Properties of bis-Homojasmonic acid, Ile conjugate, methyl ester

bis-Homojasmonic acid, Ile conjugate, methyl ester

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InChI
InChI=1S/C20H33NO4/c1-5-7-8-9-10-11-15-16(12-13-17(15)22)19(23)21-18(14(3)6-2)20(24)25-4/h9-10,14-16,18H,5-8,11-13H2,1-4H3,(H,21,23)/b10-9-/t14?,15-,16+,18?/m1/s1
InChI Key
QGYGIGLKPMEWPT-LHXQQAQFSA-N
Formula
C20H33NO4
SMILES
CCCCC=CCC1C(=O)CCC1C(=O)NC(C(=O)OC)C(C)CC
Molecular Weight1
351.48
Sources

Physical Properties

Property Value Unit Source
Δf -174.34 kJ/mol Joback Calculated Property
Δfgas -750.94 kJ/mol Joback Calculated Property
Δfus 44.71 kJ/mol Joback Calculated Property
Δvap 85.83 kJ/mol Joback Calculated Property
logPoct/wat 3.42 Crippen Calculated Property
Pc 1307.06 kPa Joback Calculated Property
Tboil 919.04 K Joback Calculated Property
Tc 1133.58 K Joback Calculated Property
Tfus 529.71 K Joback Calculated Property
Vc 1.14 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1008.74 J/mol×K 919.04 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
>CH- 2
>C=O (nonring) 2
-CH2- 5
=CH- 2
>NH 1
>C=O (ring) 1
>CH- (ring) 2
-CH3 4
-CH2- (ring) 2

Similar Compounds

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

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