Chemical Properties of 2-Cyclohexen-1-one, 2-hydroxy-6-methyl-3-(1-methylethyl)- (CAS 54783-36-7)

InChI

InChI=1S/C10H16O2/c1-6(2)8-5-4-7(3)9(11)10(8)12/h6-7,12H,4-5H2,1-3H3

InChI Key

POVACFJTDXZOQT-UHFFFAOYSA-N

Formula

C10H16O2

SMILES

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

Molecular Weight¹

168.23

CAS

54783-36-7

Other Names

• 2-hydroxy-3-(isopropyl)-6-methylcyclohex-2-en-1-one
• 2-Hydroxy-3-isopropyl-6-methylcyclohex-2-enone

• 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_np : Non-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°	-193.38	kJ/mol	Joback Calculated Property
ΔfH°gas	-455.78	kJ/mol	Joback Calculated Property
ΔfusH°	14.01	kJ/mol	Joback Calculated Property
ΔvapH°	60.44	kJ/mol	Joback Calculated Property
log10WS	-2.37		Crippen Calculated Property
logPoct/wat	2.454		Crippen Calculated Property
McVol	144.040	ml/mol	McGowan Calculated Property
Pc	2979.54	kPa	Joback Calculated Property
Inp	[1274.10; 1274.10]
Inp	1274.10		NIST
Inp	1274.10		NIST
Tboil	616.43	K	Joback Calculated Property
Tc	823.06	K	Joback Calculated Property
Tfus	349.68	K	Joback Calculated Property
Vc	0.534	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[380.65; 457.40]	J/mol×K	[616.43; 823.06]
Cp,gas	380.65	J/mol×K	616.43	Joback Calculated Property
Cp,gas	395.28	J/mol×K	650.87	Joback Calculated Property
Cp,gas	409.19	J/mol×K	685.31	Joback Calculated Property
Cp,gas	422.36	J/mol×K	719.75	Joback Calculated Property
Cp,gas	434.79	J/mol×K	754.19	Joback Calculated Property
Cp,gas	446.47	J/mol×K	788.62	Joback Calculated Property
Cp,gas	457.40	J/mol×K	823.06	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Cyclohexen-1-one, 2-hydroxy-6-methyl-3-(1-methylethyl)-.

Sources

• 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.