Chemical Properties of 2-Methyl-6-(4-methylcyclohexa-2,4-dien-1-yl)hept-2-en-4-one (CAS 82508-15-4)

InChI

InChI=1S/C15H22O/c1-11(2)9-15(16)10-13(4)14-7-5-12(3)6-8-14/h5-7,9,13-14H,8,10H2,1-4H3

InChI Key

XOCANRBEOZQNAQ-UHFFFAOYSA-N

Formula

C15H22O

SMILES

CC(C)=CC(=O)CC(C)C1C=CC(C)=CC1

Molecular Weight¹

218.33

CAS

82508-15-4

Other Names

• «alpha»-Turmerone

• 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°	90.47	kJ/mol	Joback Calculated Property
ΔfH°gas	-204.95	kJ/mol	Joback Calculated Property
ΔfusH°	25.46	kJ/mol	Joback Calculated Property
ΔvapH°	57.05	kJ/mol	Joback Calculated Property
log10WS	-4.35		Crippen Calculated Property
logPoct/wat	4.070		Crippen Calculated Property
McVol	200.020	ml/mol	McGowan Calculated Property
Pc	1944.08	kPa	Joback Calculated Property
Inp	[1879.80; 1879.80]
Inp	1879.80		NIST
Inp	1879.80		NIST
Tboil	622.92	K	Joback Calculated Property
Tc	835.61	K	Joback Calculated Property
Tfus	296.12	K	Joback Calculated Property
Vc	0.761	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[521.27; 618.48]	J/mol×K	[622.92; 835.61]
Cp,gas	521.27	J/mol×K	622.92	Joback Calculated Property
Cp,gas	540.16	J/mol×K	658.37	Joback Calculated Property
Cp,gas	557.90	J/mol×K	693.82	Joback Calculated Property
Cp,gas	574.55	J/mol×K	729.27	Joback Calculated Property
Cp,gas	590.16	J/mol×K	764.72	Joback Calculated Property
Cp,gas	604.79	J/mol×K	800.16	Joback Calculated Property
Cp,gas	618.48	J/mol×K	835.61	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Methyl-6-(4-methylcyclohexa-2,4-dien-1-yl)hept-2-en-4-one.

Sources

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

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