Chemical Properties of (+)-Jasmonic acid, methyl ester (cis)

(+)-Jasmonic acid, methyl ester (cis)

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InChI
InChI=1S/C13H20O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h4-5,10-11H,3,6-9H2,1-2H3/b5-4-/t10-,11+/m0/s1
InChI Key
GEWDNTWNSAZUDX-NRFYAWERSA-N
Formula
C13H20O3
SMILES
CCC=CCC1C(=O)CCC1CC(=O)OC
Molecular Weight1
224.30
Sources

Physical Properties

Property Value Unit Source
Δf -188.87 kJ/mol Joback Calculated Property
Δfgas -536.79 kJ/mol Joback Calculated Property
Δfus 26.93 kJ/mol Joback Calculated Property
Δvap 57.84 kJ/mol Joback Calculated Property
logPoct/wat 2.50 Crippen Calculated Property
Pc 2092.66 kPa Joback Calculated Property
Tboil 655.72 K Joback Calculated Property
Tc 866.01 K Joback Calculated Property
Tfus 378.23 K Joback Calculated Property
Vc 0.71 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 522.90 J/mol×K 655.72 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

(-)-Jasmonic acid, methyl ester (trans). (+)-(Z)-Methyl epijasmonate. Methyl epi-jasmonate. Cyclopentaneacetic acid, 3-oxo-2-(2-pentenyl)-, methyl ester, [1«alpha»,2«alpha»(Z)]-. Methyl jasmonate. (Z)-Methyl epi-jasmonate. Methyl (Z)-jasmonate. methyl epijasmonate. Methyl (Z)-epi-jasmonate. (E)-methyl jasmonate. Methyl (Z)-dihydrojasmonate. methyl dihydroepijasmonate. (+)-methyldihydroepijasmonate. Cyclopentaneacetic acid, 3-oxo-2-pentyl-, methyl ester. (Z)-Methyl epi-jasmonate.

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