Chemical Properties of (Z)-methyl jasmonate

(Z)-methyl jasmonate

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InChI
InChI=1S/C12H18O3/c1-3-4-5-6-9-10(12(14)15-2)7-8-11(9)13/h4-5,9-10H,3,6-8H2,1-2H3/b5-4-/t9-,10+/m0/s1
InChI Key
LQBORWCRYHAYHJ-YVDHIRPGSA-N
Formula
C12H18O3
SMILES
CCC=CCC1C(=O)CCC1C(=O)OC
Molecular Weight1
210.27
Sources

Physical Properties

Property Value Unit Source
Δf -197.29 kJ/mol Joback Calculated Property
Δfgas -516.15 kJ/mol Joback Calculated Property
Δfus 24.34 kJ/mol Joback Calculated Property
Δvap 55.61 kJ/mol Joback Calculated Property
logPoct/wat 2.11 Crippen Calculated Property
Pc 2289.32 kPa Joback Calculated Property
Tboil 632.84 K Joback Calculated Property
Tc 846.51 K Joback Calculated Property
Tfus 366.96 K Joback Calculated Property
Vc 0.66 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 470.19 J/mol×K 632.84 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

(Z)-Methyl epi-jasmonate. Methyl (Z)-jasmonate. (-)-Jasmonic acid, methyl ester (trans). methyl epijasmonate. Methyl jasmonate. (Z)-Methyl epi-jasmonate. Methyl (Z)-epi-jasmonate. Cyclopentaneacetic acid, 3-oxo-2-(2-pentenyl)-, methyl ester, [1«alpha»,2«alpha»(Z)]-. (+)-(Z)-Methyl epijasmonate. Methyl epi-jasmonate. (+)-Jasmonic acid, methyl ester (cis). (E)-methyl jasmonate. Tetramethyl bicyclo[2.2.2]-7-octene-2,3,5,6-tetracarboxylate. Jasmonic acid, TBDMS. endo-Methylenetetrahydrophthalic acid, dimethyl ester.

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