Chemical Properties of 5-Hydroxy-2,2,6,6-tetramethyl-4-cyclohexene-1,3-dione

InChI

InChI=1S/C10H14O3/c1-9(2)6(11)5-7(12)10(3,4)8(9)13/h5,11H,1-4H3

InChI Key

ICXMZHQQUWNXSF-UHFFFAOYSA-N

Formula

C10H14O3

SMILES

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

Molecular Weight¹

182.22

Other Names

• 5-hydroxy-2,2,6,6-tetramethyl-4-cyclohexene-1,3-dione, enol form (syncarpic acid)

• 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.
• 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
ω	0.5009		Relay (1.0) Calculated Property
ΔfG°	-322.59	kJ/mol	Joback Calculated Property
ΔfH°gas	-520.09	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	5.91	kJ/mol	Joback Calculated Property
ΔvapH°	67.68	kJ/mol	Relay (1.0) Calculated Property
IE	8.50	eV	Relay (1.0) Calculated Property
log10WS	-1.59		Relay (1.0) Calculated Property
logPoct/wat	1.632		Crippen Calculated Property
McVol	145.610	ml/mol	McGowan Calculated Property
Pc	3329.68	kPa	Joback Calculated Property
Inp	[1280.00; 1280.00]
Inp	1280.00		NIST
Inp	1280.00		NIST
I	[2190.00; 2190.00]
I	2190.00		NIST
I	2190.00		NIST
Tboil	506.45	K	Relay (1.0) Calculated Property
Tc	741.18	K	Relay (1.0) Calculated Property
Tfus	432.58	K	Relay (1.0) Calculated Property
Vc	0.507	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[403.52; 486.83]	J/mol×K	[675.52; 904.37]
Cp,gas	403.52	J/mol×K	675.52	Joback Calculated Property
Cp,gas	417.74	J/mol×K	713.66	Joback Calculated Property
Cp,gas	431.62	J/mol×K	751.80	Joback Calculated Property
Cp,gas	445.32	J/mol×K	789.94	Joback Calculated Property
Cp,gas	458.99	J/mol×K	828.09	Joback Calculated Property
Cp,gas	472.78	J/mol×K	866.23	Joback Calculated Property
Cp,gas	486.83	J/mol×K	904.37	Joback Calculated Property

Similar Compounds

Find more compounds similar to 5-Hydroxy-2,2,6,6-tetramethyl-4-cyclohexene-1,3-dione.

Sources

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

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