Chemical Properties of 2,5,6,6-Tetramethylcyclohexe-2-en-1-one

InChI

InChI=1S/C10H16O/c1-7-5-6-8(2)10(3,4)9(7)11/h5,8H,6H2,1-4H3

InChI Key

KXRGNMKZVAJQJO-UHFFFAOYSA-N

Formula

C10H16O

SMILES

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

Molecular Weight¹

152.23

• 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 : 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	0.3139		Relay (1.0) Calculated Property
ΔfG°	-57.69	kJ/mol	Joback Calculated Property
ΔfH°gas	-173.13	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	8.61	kJ/mol	Joback Calculated Property
ΔvapH°	52.36	kJ/mol	Relay (1.0) Calculated Property
IE	9.13	eV	Relay (1.0) Calculated Property
log10WS	-2.44		Relay (1.0) Calculated Property
logPoct/wat	2.568		Crippen Calculated Property
McVol	138.170	ml/mol	McGowan Calculated Property
Pc	2755.56	kPa	Joback Calculated Property
I	[1405.00; 1405.00]
I	1405.00		NIST
I	1405.00		NIST
Tboil	459.92	K	Relay (1.0) Calculated Property
Tc	680.08	K	Relay (1.0) Calculated Property
Tfus	268.67	K	Relay (1.0) Calculated Property
Vc	0.464	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[321.92; 415.19]	J/mol×K	[515.28; 741.26]
Cp,gas	321.92	J/mol×K	515.28	Joback Calculated Property
Cp,gas	339.56	J/mol×K	552.94	Joback Calculated Property
Cp,gas	356.26	J/mol×K	590.61	Joback Calculated Property
Cp,gas	372.09	J/mol×K	628.27	Joback Calculated Property
Cp,gas	387.13	J/mol×K	665.93	Joback Calculated Property
Cp,gas	401.47	J/mol×K	703.59	Joback Calculated Property
Cp,gas	415.19	J/mol×K	741.26	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,5,6,6-Tetramethylcyclohexe-2-en-1-one.

Sources

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

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