Chemical Properties of 2-Cyclohexene-1,4-dione, 2-hydroxy-3,5,5-trimethyl- (CAS 35692-98-9)

2-Cyclohexene-1,4-dione, 2-hydroxy-3,5,5-trimethyl-

InChI
InChI=1S/C9H12O3/c1-5-7(11)6(10)4-9(2,3)8(5)12/h11H,4H2,1-3H3
InChI Key
BSRFZJMVFOPNKR-UHFFFAOYSA-N
Formula
C9H12O3
SMILES
CC1=C(O)C(=O)CC(C)(C)C1=O
Molecular Weight1
168.19
CAS
35692-98-9
Other Names
  • 2-Hydroxy-3,5,5-trimethylcyclohex-2-ene-1,4-dione
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ΔfusH° 8.15 kJ/mol Joback Calculated Property
IE 8.95 eV Relay (1.0) Calculated Property
logPoct/wat 1.386 Crippen Calculated Property
McVol 131.520 ml/mol McGowan Calculated Property
Inp [1237.80; 1250.00]   Show Hide
Inp 1237.80 NIST
Inp 1237.80 NIST
Inp 1250.00 NIST
Inp 1250.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [353.06; 424.42] J/mol×K [662.05; 887.72] Show Hide
Cp,gas 353.06 J/mol×K 662.05 Joback Calculated Property
Cp,gas 366.06 J/mol×K 699.66 Joback Calculated Property
Cp,gas 378.56 J/mol×K 737.27 Joback Calculated Property
Cp,gas 390.59 J/mol×K 774.89 Joback Calculated Property
Cp,gas 402.22 J/mol×K 812.50 Joback Calculated Property
Cp,gas 413.48 J/mol×K 850.11 Joback Calculated Property
Cp,gas 424.42 J/mol×K 887.72 Joback Calculated Property

Similar Compounds

2-methoxy-3,5,5-trimethylcyclohex-2-ene-1,4-dione. 2-HYDROXY-3,5,5-TRIMETHYL-CYCLOHEX-2-ENONE. 2-hydroxy-3,5,5-trimethyl-4-methylenecyclohex-2-en-1-one. 2-Cyclopenten-1-one, 2-hydroxy-3,4,4-trimethyl. 2,6,6-Trimethyl-2-cyclohexene-1,4-dione. Flavesone. 5-Hydroxy-2,2,6,6-tetramethyl-4-propionylcyclohex-4-ene-1,3-dione. 2-Cyclohexen-1-one, 2-hydroxy-3-methyl-6-(1-methylethyl)-. Cyclohexanepropionic acid, 4,4-dimethyl-2,6-dioxo-. 5-hydroxy-4,6,6-trimethyl-4-cyclohexene-1,3-dione. Pentanoic acid, 3-(3-hydroxy-5,5-dimethyl-1-oxo-2-cyclohexenyl)-4-oxo-. (7,7-Dimethyl-1,4-dioxo-2,3,4,5,6,7-hexahydro-1H-inden-2-yl)acetic acid. Cohulupone, TMS. 3-Hydroxyestra-2,5(10)-diene-1,4,17-trione. 2-Cyclopenten-1-one, 2-hydroxy-3,5,5-trimethyl.

Find more compounds similar to 2-Cyclohexene-1,4-dione, 2-hydroxy-3,5,5-trimethyl-.

Sources

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.
These property values are available through the Cheméo API. A free account gives you an access key.