Chemical Properties of 5-Hydroxy-2,2,6,6-tetramethyl-4-cyclohexene-1,3-dione

5-Hydroxy-2,2,6,6-tetramethyl-4-cyclohexene-1,3-dione

Download as PDF file Download as Excel file Download as 2D mole file Predict properties

InChI
InChI=1S/C10H14O3/c1-9(2)6(11)5-7(12)10(3,4)8(9)13/h5,11H,1-4H3
InChI Key
ICXMZHQQUWNXSF-UHFFFAOYSA-N
Formula
C10H14O3
SMILES
CC1(C)C(=O)C=C(O)C(C)(C)C1=O
Molecular Weight1
182.22
Other Names
  • 5-hydroxy-2,2,6,6-tetramethyl-4-cyclohexene-1,3-dione, enol form (syncarpic acid)
Sources

Physical Properties

Property Value Unit Source
Δf -322.59 kJ/mol Joback Calculated Property
Δfgas -566.59 kJ/mol Joback Calculated Property
Δfus 5.91 kJ/mol Joback Calculated Property
Δvap 61.80 kJ/mol Joback Calculated Property
logPoct/wat 1.63 Crippen Calculated Property
Pc 3329.68 kPa Joback Calculated Property
Tboil 675.52 K Joback Calculated Property
Tc 904.37 K Joback Calculated Property
Tfus 463.94 K Joback Calculated Property
Vc 0.54 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 403.52 J/mol×K 675.52 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>C=O (ring) 2
=CH- (ring) 1
-OH (alcohol) 1
=C< (ring) 1
>C< (ring) 2
-CH3 4

Similar Compounds

Agglomerone. Flavesone. 5-Hydroxy-2,2,6,6-tetramethyl-4-propionylcyclohex-4-ene-1,3-dione. 5-hydroxy-4,6,6-trimethyl-4-cyclohexene-1,3-dione. Tasmanone. Lateriticone. 2,2,4,4-tetramethyl-6-(1-oxo-3-phenylprop-2-enyl)-cyclohexane-1,3,5-trione, enol form (champanone A). Dl-trans-5,6-di-tert-butyl-2-hydroxy-1,4-diketo-2-cyclohexene. 2-(3-Hydroxybut-1-enyl)-2,6,6-trimethylcyclohex-3-en-1-one. 5.alpha.-Androstane-3,6,17-trione, TMS. 5.alpha.-Androstane-3,7,17-trione, TMS. 2-Cyclohexene-1,4-dione, 2-hydroxy-3,5,5-trimethyl-. 2,2,6-Trimethyl-6-vinyl dihydropyran-3-one. 1,7,7-TRIMETHYLBICYCLO[2.2.1]HEPT-5-EN-2-ONE. 19-Hydroxyandrost-4-ene-3,17-dione.

Find more compounds similar to 5-Hydroxy-2,2,6,6-tetramethyl-4-cyclohexene-1,3-dione.

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.