Chemical Properties of 2-Hydroxy-3-methyl-2-cyclohexen-1-one

InChI

InChI=1S/C7H10O2/c1-5-3-2-4-6(8)7(5)9/h9H,2-4H2,1H3

InChI Key

JVQYXBKQKZPLBC-UHFFFAOYSA-N

Formula

C7H10O2

SMILES

CC1=C(O)C(=O)CCC1

Molecular Weight¹

126.15

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I : Polar retention indices.
• 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

Property	Value	Unit	Source
ΔfH°gas	-300.90	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	8.69	kJ/mol	Joback Calculated Property
logPoct/wat	1.571		Crippen Calculated Property
McVol	101.770	ml/mol	McGowan Calculated Property
I	[1793.00; 1794.00]
I	1793.00		NIST
I	1793.00		NIST
I	1794.00		NIST
I	1794.00		NIST
I	1793.00		NIST
Tboil	507.77	K	Relay (1.0) Calculated Property
Tfus	355.44	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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	[236.79; 296.63]	J/mol×K	[552.90; 765.39]
Cp,gas	236.79	J/mol×K	552.90	Joback Calculated Property
Cp,gas	248.06	J/mol×K	588.32	Joback Calculated Property
Cp,gas	258.83	J/mol×K	623.73	Joback Calculated Property
Cp,gas	269.08	J/mol×K	659.15	Joback Calculated Property
Cp,gas	278.81	J/mol×K	694.56	Joback Calculated Property
Cp,gas	287.99	J/mol×K	729.98	Joback Calculated Property
Cp,gas	296.63	J/mol×K	765.39	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Hydroxy-3-methyl-2-cyclohexen-1-one.

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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