Chemical Properties of 2-Hydroxy-3,5,5-trimethyl-cyclohex-2-enone (CAS 4883-60-7)

InChI

InChI=1S/C9H14O2/c1-6-4-9(2,3)5-7(10)8(6)11/h11H,4-5H2,1-3H3

InChI Key

DWGZTTFGUFHAJX-UHFFFAOYSA-N

Formula

C9H14O2

SMILES

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

Molecular Weight¹

154.21

CAS

4883-60-7

Other Names

• 2-Hydroxy-3,5,5-trimethyl-2-cyclohexen-1-one
• 2-Hydroxyisophorone
• 2-Cyclohexen-1-one, 2-hydroxy-3,5,5-trimethyl-

• 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.
• 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°	-204.85	kJ/mol	Joback Calculated Property
ΔfH°gas	-414.62	kJ/mol	Joback Calculated Property
ΔfusH°	8.64	kJ/mol	Joback Calculated Property
ΔvapH°	57.45	kJ/mol	Joback Calculated Property
log10WS	-2.20		Crippen Calculated Property
logPoct/wat	2.208		Crippen Calculated Property
McVol	129.950	ml/mol	McGowan Calculated Property
Pc	3464.28	kPa	Joback Calculated Property
Inp	[1149.80; 1194.00]
Inp	1149.80		NIST
Inp	1194.00		NIST
I	[1648.00; 1675.00]
I	1675.00		NIST
I	1648.00		NIST
Tboil	594.23	K	Joback Calculated Property
Tc	807.77	K	Joback Calculated Property
Tfus	377.31	K	Joback Calculated Property
Vc	0.482	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[329.34; 400.65]	J/mol×K	[594.23; 807.77]
Cp,gas	329.34	J/mol×K	594.23	Joback Calculated Property
Cp,gas	342.50	J/mol×K	629.82	Joback Calculated Property
Cp,gas	355.06	J/mol×K	665.41	Joback Calculated Property
Cp,gas	367.09	J/mol×K	701.00	Joback Calculated Property
Cp,gas	378.65	J/mol×K	736.59	Joback Calculated Property
Cp,gas	389.81	J/mol×K	772.18	Joback Calculated Property
Cp,gas	400.65	J/mol×K	807.77	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Hydroxy-3,5,5-trimethyl-cyclohex-2-enone.

Sources

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

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