Chemical Properties of 2-Cyclohexen-1-one, 4,4,6-trimethyl- (CAS 13395-73-8)

InChI

InChI=1S/C9H14O/c1-7-6-9(2,3)5-4-8(7)10/h4-5,7H,6H2,1-3H3

InChI Key

PLXVUZMJQPEWPH-UHFFFAOYSA-N

Formula

C9H14O

SMILES

CC1CC(C)(C)C=CC1=O

Molecular Weight¹

138.21

CAS

13395-73-8

Other Names

• 4,4,6-Trimethyl-2-cyclohexen-1-one
• 4,4,6-Trimethyl-2-cyclohexenone
• 4,4,6-trimethylcyclohex-2-en-1-one

• 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 : 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°	-56.48	kJ/mol	Joback Calculated Property
ΔfH°gas	-259.79	kJ/mol	Joback Calculated Property
ΔfusH°	6.41	kJ/mol	Joback Calculated Property
ΔvapH°	39.14	kJ/mol	Joback Calculated Property
log10WS	-2.13		Crippen Calculated Property
logPoct/wat	2.178		Crippen Calculated Property
McVol	124.080	ml/mol	McGowan Calculated Property
Pc	3107.10	kPa	Joback Calculated Property
I	[1646.00; 1646.00]
I	1646.00		NIST
I	1646.00		NIST
Tboil	487.42	K	Joback Calculated Property
Tc	716.11	K	Joback Calculated Property
Tfus	287.21	K	Joback Calculated Property
Vc	0.463	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[276.00; 365.56]	J/mol×K	[487.42; 716.11]
Cp,gas	276.00	J/mol×K	487.42	Joback Calculated Property
Cp,gas	293.16	J/mol×K	525.54	Joback Calculated Property
Cp,gas	309.30	J/mol×K	563.65	Joback Calculated Property
Cp,gas	324.53	J/mol×K	601.77	Joback Calculated Property
Cp,gas	338.92	J/mol×K	639.88	Joback Calculated Property
Cp,gas	352.57	J/mol×K	678.00	Joback Calculated Property
Cp,gas	365.56	J/mol×K	716.11	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Cyclohexen-1-one, 4,4,6-trimethyl-.

Sources

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

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