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_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-208.49	kJ/mol	Joback Calculated Property
ΔfH°gas	-368.24	kJ/mol	Joback Calculated Property
ΔfusH°	8.69	kJ/mol	Joback Calculated Property
ΔvapH°	54.46	kJ/mol	Joback Calculated Property
log10WS	-1.60		Crippen Calculated Property
logPoct/wat	1.571		Crippen Calculated Property
McVol	101.770	ml/mol	McGowan Calculated Property
Pc	4333.96	kPa	Joback 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	552.90	K	Joback Calculated Property
Tc	765.39	K	Joback Calculated Property
Tfus	335.11	K	Joback Calculated Property
Vc	0.373	m3/kmol	Joback Calculated Property

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

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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