Chemical Properties of 3(2H)-Furanone, 2-hexyl-5-methyl- (CAS 33922-66-6)

InChI

InChI=1S/C11H18O2/c1-3-4-5-6-7-11-10(12)8-9(2)13-11/h8,11H,3-7H2,1-2H3

InChI Key

AAUWBAWSKVOBFL-UHFFFAOYSA-N

Formula

C11H18O2

SMILES

CCCCCCC1OC(C)=CC1=O

Molecular Weight¹

182.26

CAS

33922-66-6

Other Names

• 2-Hexyl-5-methyl-3(2H)-furanone
• 2,3-Dihydro-2-n-hexyl-5-methyl-furan-3-one
• 2,3-Dihydro-5-methyl-2-n-hexylfuran-3-one
• 2-Hexyl-5-methyl-2(3H)-furan-3-one
• 2-Hexyl-5-methyl-(2H)-furan-3-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_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
ΔfG°	-110.09	kJ/mol	Joback Calculated Property
ΔfH°gas	-433.28	kJ/mol	Joback Calculated Property
ΔfusH°	26.50	kJ/mol	Joback Calculated Property
ΔvapH°	50.05	kJ/mol	Joback Calculated Property
log10WS	-3.15		Crippen Calculated Property
logPoct/wat	2.828		Crippen Calculated Property
McVol	158.130	ml/mol	McGowan Calculated Property
Pc	2386.52	kPa	Joback Calculated Property
Inp	[1413.00; 1446.10]
Inp	1413.00		NIST
Inp	1413.00		NIST
Inp	1446.10		NIST
Inp	1434.00		NIST
Inp	1446.10		NIST
Inp	1413.00		NIST
I	[1999.00; 1999.00]
I	1999.00		NIST
I	1999.00		NIST
Tboil	565.27	K	Joback Calculated Property
Tc	769.60	K	Joback Calculated Property
Tfus	332.70	K	Joback Calculated Property
Vc	0.607	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[400.06; 487.92]	J/mol×K	[565.27; 769.60]
Cp,gas	400.06	J/mol×K	565.27	Joback Calculated Property
Cp,gas	416.63	J/mol×K	599.33	Joback Calculated Property
Cp,gas	432.42	J/mol×K	633.38	Joback Calculated Property
Cp,gas	447.44	J/mol×K	667.44	Joback Calculated Property
Cp,gas	461.70	J/mol×K	701.49	Joback Calculated Property
Cp,gas	475.19	J/mol×K	735.55	Joback Calculated Property
Cp,gas	487.92	J/mol×K	769.60	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3(2H)-Furanone, 2-hexyl-5-methyl-.

Sources

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

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