Chemical Properties of 2-Cyclohexen-1-one, 4-hydroxy-

InChI

InChI=1S/C6H8O2/c7-5-1-2-6(8)4-3-5/h1-2,5,7H,3-4H2

InChI Key

AMFCFGFZMSQOIU-UHFFFAOYSA-N

Formula

C6H8O2

SMILES

O=C1C=CC(O)CC1

Molecular Weight¹

112.13

Other Names

• 4-Hydroxy-2-cyclohexen-1-one

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_p : Polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	7.95	kJ/mol	Joback Calculated Property
IE	9.57	eV	Relay (1.0) Calculated Property
logPoct/wat	0.266		Crippen Calculated Property
McVol	87.680	ml/mol	McGowan Calculated Property
Ip	[2277.00; 2277.00]
Ip	2277.00		NIST
Ip	2277.00		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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[107.04; 300.45]	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			-1.86700e+01
Coefficient B			5.05600e-01
Coefficient C			-1.57280e-04
Coefficient D			-2.92000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	107.04	J/mol×K	273.00	Calculated Property
Cp,gas	139.22	J/mol×K	353.78	Calculated Property
Cp,gas	168.94	J/mol×K	434.56	Calculated Property
Cp,gas	196.12	J/mol×K	515.33	Calculated Property
Cp,gas	220.65	J/mol×K	596.11	Calculated Property
Cp,gas	242.45	J/mol×K	676.89	Calculated Property
Cp,gas	261.42	J/mol×K	757.67	Calculated Property
Cp,gas	277.47	J/mol×K	838.44	Calculated Property
Cp,gas	290.51	J/mol×K	919.22	Calculated Property
Cp,gas	300.45	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2-Cyclohexen-1-one, 4-hydroxy-.

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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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