Chemical Properties of 1,3-Cyclohexanedione, 5,5-dimethyl- (CAS 126-81-8)

InChI

InChI=1S/C8H12O2/c1-8(2)4-6(9)3-7(10)5-8/h3-5H2,1-2H3

InChI Key

BADXJIPKFRBFOT-UHFFFAOYSA-N

Formula

C8H12O2

SMILES

CC1(C)CC(=O)CC(=O)C1

Molecular Weight¹

140.18

CAS

126-81-8

Other Names

• Cyclomethone
• Dimedon
• Dimedone
• Lu 274
• Medon
• Methon
• Methone
• 1,1-Dimethyl-3,5-cyclohexanedione
• 1,1-Dimethyl-3,5-diketocyclohexane
• 5,5-Dimethyl-1,3-cyclohexanedione
• 5,5-Dimethyldihydroresorcinol
• 5,5-Dimethylhydroresorcinol
• 5,5-Dimethylcyclohexane-1,3-dione
• 5,5-Dimethyl-1,3-cyclohexadione
• 5,5-Dimethyl-1,3-dihydroresorcinol
• NSC 14984

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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	[275.77; 362.57]	J/mol×K	[537.87; 785.42]
Cp,gas	275.77	J/mol×K	537.87	Joback Calculated Property
Cp,gas	292.13	J/mol×K	579.13	Joback Calculated Property
Cp,gas	307.63	J/mol×K	620.39	Joback Calculated Property
Cp,gas	322.36	J/mol×K	661.64	Joback Calculated Property
Cp,gas	336.38	J/mol×K	702.90	Joback Calculated Property
Cp,gas	349.76	J/mol×K	744.16	Joback Calculated Property
Cp,gas	362.57	J/mol×K	785.42	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,3-Cyclohexanedione, 5,5-dimethyl-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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.
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