Chemical Properties of 2-Hydroxy-4,4,6-trimethylcyclohexa-2,5-dienone (CAS 28750-52-9)

InChI

InChI=1S/C9H12O2/c1-6-4-9(2,3)5-7(10)8(6)11/h4-5,10H,1-3H3

InChI Key

GKOBUKITZSFCJC-UHFFFAOYSA-N

Formula

C9H12O2

SMILES

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

Molecular Weight¹

152.19

CAS

28750-52-9

• 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°	-174.89	kJ/mol	Joback Calculated Property
ΔfH°gas	-356.84	kJ/mol	Joback Calculated Property
ΔfusH°	9.87	kJ/mol	Joback Calculated Property
ΔvapH°	57.74	kJ/mol	Joback Calculated Property
log10WS	-2.05		Crippen Calculated Property
logPoct/wat	1.983		Crippen Calculated Property
McVol	125.650	ml/mol	McGowan Calculated Property
Pc	3615.89	kPa	Joback Calculated Property
Inp	[1098.00; 1164.90]
Inp	1098.00		NIST
Inp	1164.90		NIST
Inp	1164.90		NIST
Inp	1098.00		NIST
Tboil	593.39	K	Joback Calculated Property
Tc	808.90	K	Joback Calculated Property
Tfus	378.07	K	Joback Calculated Property
Vc	0.469	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[308.93; 374.01]	J/mol×K	[593.39; 808.90]
Cp,gas	308.93	J/mol×K	593.39	Joback Calculated Property
Cp,gas	320.94	J/mol×K	629.31	Joback Calculated Property
Cp,gas	332.39	J/mol×K	665.23	Joback Calculated Property
Cp,gas	343.35	J/mol×K	701.15	Joback Calculated Property
Cp,gas	353.89	J/mol×K	737.07	Joback Calculated Property
Cp,gas	364.09	J/mol×K	772.98	Joback Calculated Property
Cp,gas	374.01	J/mol×K	808.90	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Hydroxy-4,4,6-trimethylcyclohexa-2,5-dienone.

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.