Chemical Properties of Methyl 2,3-di-epi-cucurbate

Methyl 2,3-di-epi-cucurbate

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InChI
InChI=1S/C13H22O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h4-5,10-12,14H,3,6-9H2,1-2H3/b5-4-/t10-,11+,12?/m1/s1
InChI Key
OOYCGMQJIWHWHA-IUOCUSHJSA-N
Formula
C13H22O3
SMILES
CCC=CCC1C(O)CCC1CC(=O)OC
Molecular Weight1
226.31
Sources

Physical Properties

Property Value Unit Source
Δf -210.81 kJ/mol Joback Calculated Property
Δfgas -571.66 kJ/mol Joback Calculated Property
Δfus 32.58 kJ/mol Joback Calculated Property
Δvap 69.96 kJ/mol Joback Calculated Property
logPoct/wat 2.29 Crippen Calculated Property
Pc 2139.38 kPa Joback Calculated Property
Tboil 675.41 K Joback Calculated Property
Tc 863.59 K Joback Calculated Property
Tfus 366.59 K Joback Calculated Property
Vc 0.73 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 555.89 J/mol×K 675.41 Joback Calculated Property
η 0.00 Pa×s 675.41 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Cyclopentaneacetic acid, 3-oxo-2-(2-pentenyl)-, methyl ester, [1«alpha»,2«alpha»(Z)]-. Methyl epi-jasmonate. Methyl (Z)-jasmonate. Methyl jasmonate. (+)-(Z)-Methyl epijasmonate. (-)-Jasmonic acid, methyl ester (trans). (Z)-Methyl epi-jasmonate. methyl epijasmonate. Methyl (Z)-epi-jasmonate. (E)-methyl jasmonate. (+)-Jasmonic acid, methyl ester (cis). exo-Tricyclo[6,2,1,0(2,6)]dec-4-en-8-«alpha»-ol. exo-Tricyclo[6,2,1,0(2,6)]dec-4-en-8-«beta»-ol. endo-Tricyclo[6,2,1,0(2,6)]dec-4-en-8-«alpha»-ol. endo-Tricyclo[6,2,1,0(2,6)]dec-4-en-8-«beta»-ol.

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