Chemical Properties of Vomifoliol

Vomifoliol

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InChI
InChI=1S/C12H18O3/c1-9(13)4-6-12(15)7-5-10(14)8-11(12,2)3/h4-7,9,13,15H,8H2,1-3H3/b6-4+/t9-,12-/m0/s1
InChI Key
BZYRKOLLJAWIFZ-KFFBJUEBSA-N
Formula
C12H18O3
SMILES
CC(O)C=CC1(O)C=CC(=O)CC1(C)C
Molecular Weight1
210.27
Sources

Physical Properties

Property Value Unit Source
Δf -232.57 kJ/mol Joback Calculated Property
Δfgas -498.99 kJ/mol Joback Calculated Property
Δfus 12.73 kJ/mol Joback Calculated Property
Δvap 77.59 kJ/mol Joback Calculated Property
logPoct/wat 1.21 Crippen Calculated Property
Pc 3110.57 kPa Joback Calculated Property
Tboil 744.38 K Joback Calculated Property
Tc 951.91 K Joback Calculated Property
Tfus 446.48 K Joback Calculated Property
Vc 0.64 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 513.79 J/mol×K 744.38 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

abscisic acid, Me. Vomifoliol. 4-hydroxy-4-(3«xi»-hydroxy-1-butenyl)-3,5,5-trimethylcyclohex-2-en-1-one. (S,E)-4-Hydroxy-3,5,5-trimethyl-4-(3-oxobut-1-en-1-yl)cyclohex-2-enone. 2-Cyclohexen-1-one, 4-hydroxy-3,5,5-trimethyl-4-(3-oxo-1-butenyl)-. 6-Hydroxy-3-oxo-«alpha»-ionol (Vomifoliol). 1,8-Dihydrovomifoliol. 2,4-Pentadienoic acid, 5-(1-hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl)-3-methyl-, methyl ester, (R)-(Z,E)-. (2E,4E)-Methyl abscisate. 13-hydroxy-3-oxo-.alpha.-ionol. 2-Cyclohexen-1-one, 4-hydroxy-3,5,6-trimethyl-4-(3-oxo-1-butenyl)-. 4-Hydroxy-cryptone. (E)-4-(3-Oxo-2,6,6-trimethylcyclohex-1-en-1-yl)-3-buten-2-ol. (9R)-9-Hydroxy-4-7E-megastigmadien-3-one. 2-Cyclohexen-1-one, 4-(3-hydroxy-1-butenyl)-3,5,5-trimethyl-.

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