Chemical Properties of Prohydrojasmon, isomer 1

Prohydrojasmon, isomer 1

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InChI
InChI=1S/C15H26O3/c1-3-5-6-7-13-12(8-9-14(13)16)11-15(17)18-10-4-2/h12-13H,3-11H2,1-2H3
InChI Key
IPDFPNNPBMREIF-UHFFFAOYSA-N
Formula
C15H26O3
SMILES
CCCCCC1C(=O)CCC1CC(=O)OCCC
Molecular Weight1
254.37
Sources

Physical Properties

Property Value Unit Source
Δf -252.25 kJ/mol Joback Calculated Property
Δfgas -695.29 kJ/mol Joback Calculated Property
Δfus 31.91 kJ/mol Joback Calculated Property
Δvap 62.33 kJ/mol Joback Calculated Property
logPoct/wat 3.51 Crippen Calculated Property
Pc 1693.51 kPa Joback Calculated Property
Tboil 697.32 K Joback Calculated Property
Tc 895.13 K Joback Calculated Property
Tfus 405.85 K Joback Calculated Property
Vc 0.85 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 654.85 J/mol×K 697.32 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-CH3 2
-CH2- 7
>C=O (nonring) 1
>CH- (ring) 2
-CH2- (ring) 2
>C=O (ring) 1

Similar Compounds

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

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