Chemical Properties of 5,5-Dimethyl-1,3-cyclohexanedione

InChI

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

InChI Key

PQZVNKWTNLBLHJ-UHFFFAOYSA-N

Formula

C8H12O2

SMILES

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

Molecular Weight¹

140.18

Other Names

• 5,5-Dimethyl-cyclohex-2-enone-3-ol

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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 formation at standard conditions, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[148.09; 407.92]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-5.61800e+01
Coefficient B			9.28040e-01
Coefficient C			-7.31640e-04
Coefficient D			2.67700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	148.09	J/mol×K	273.00	Calculated Property
Cp,gas	192.42	J/mol×K	353.78	Calculated Property
Cp,gas	230.91	J/mol×K	434.56	Calculated Property
Cp,gas	264.41	J/mol×K	515.33	Calculated Property
Cp,gas	293.75	J/mol×K	596.11	Calculated Property
Cp,gas	319.80	J/mol×K	676.89	Calculated Property
Cp,gas	343.40	J/mol×K	757.67	Calculated Property
Cp,gas	365.38	J/mol×K	838.44	Calculated Property
Cp,gas	386.61	J/mol×K	919.22	Calculated Property
Cp,gas	407.92	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 5,5-Dimethyl-1,3-cyclohexanedione.

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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