Chemical Properties of 4-Hydroxy-3,5,5-trimethylcyclohex-2-enone (CAS 14203-59-9)

InChI

InChI=1S/C9H14O2/c1-6-4-7(10)5-9(2,3)8(6)11/h4,8,11H,5H2,1-3H3

InChI Key

RLDREDRZMOWDOA-UHFFFAOYSA-N

Formula

C9H14O2

SMILES

CC1=CC(=O)CC(C)(C)C1O

Molecular Weight¹

154.21

CAS

14203-59-9

Other Names

• 2-Cyclohexen-1-one, 4-hydroxy-3,5,5-trimethyl

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.4896		Relay (1.0) Calculated Property
ΔfG°	-202.93	kJ/mol	Joback Calculated Property
ΔfH°gas	-377.69	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	10.11	kJ/mol	Joback Calculated Property
ΔvapH°	73.13	kJ/mol	Relay (1.0) Calculated Property
IE	9.36	eV	Relay (1.0) Calculated Property
log10WS	-0.57		Relay (1.0) Calculated Property
logPoct/wat	1.293		Crippen Calculated Property
McVol	129.950	ml/mol	McGowan Calculated Property
Pc	3392.03	kPa	Joback Calculated Property
Inp	[1294.00; 1317.70]
Inp	1317.70		NIST
Inp	1294.00		NIST
Inp	1294.00		NIST
Inp	1317.70		NIST
Tboil	510.73	K	Relay (1.0) Calculated Property
Tc	733.41	K	Relay (1.0) Calculated Property
Tfus	342.48	K	Relay (1.0) Calculated Property
Vc	0.447	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[331.96; 406.30]	J/mol×K	[584.58; 797.08]
Cp,gas	331.96	J/mol×K	584.58	Joback Calculated Property
Cp,gas	345.77	J/mol×K	620.00	Joback Calculated Property
Cp,gas	358.93	J/mol×K	655.41	Joback Calculated Property
Cp,gas	371.49	J/mol×K	690.83	Joback Calculated Property
Cp,gas	383.53	J/mol×K	726.25	Joback Calculated Property
Cp,gas	395.11	J/mol×K	761.66	Joback Calculated Property
Cp,gas	406.30	J/mol×K	797.08	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-Hydroxy-3,5,5-trimethylcyclohex-2-enone.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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