Chemical Properties of 2,2-Dimethyl-3(2H)-furanone (CAS 35298-48-7)

InChI

InChI=1S/C6H8O2/c1-6(2)5(7)3-4-8-6/h3-4H,1-2H3

InChI Key

HVNICCSXGONRCB-UHFFFAOYSA-N

Formula

C6H8O2

SMILES

CC1(C)OC=CC1=O

Molecular Weight¹

112.13

CAS

35298-48-7

• 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°	-148.05	kJ/mol	Joback Calculated Property
ΔfH°gas	-303.37	kJ/mol	Joback Calculated Property
ΔfusH°	7.64	kJ/mol	Joback Calculated Property
ΔvapH°	37.11	kJ/mol	Joback Calculated Property
log10WS	-1.06		Crippen Calculated Property
logPoct/wat	0.878		Crippen Calculated Property
McVol	87.680	ml/mol	McGowan Calculated Property
Pc	4403.25	kPa	Joback Calculated Property
Inp	[834.00; 834.00]
Inp	834.00		NIST
Inp	834.00		NIST
Tboil	446.13	K	Joback Calculated Property
Tc	675.56	K	Joback Calculated Property
Tfus	287.73	K	Joback Calculated Property
Vc	0.325	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[179.23; 239.35]	J/mol×K	[446.13; 675.56]
Cp,gas	179.23	J/mol×K	446.13	Joback Calculated Property
Cp,gas	191.02	J/mol×K	484.37	Joback Calculated Property
Cp,gas	201.97	J/mol×K	522.61	Joback Calculated Property
Cp,gas	212.19	J/mol×K	560.84	Joback Calculated Property
Cp,gas	221.76	J/mol×K	599.08	Joback Calculated Property
Cp,gas	230.78	J/mol×K	637.32	Joback Calculated Property
Cp,gas	239.35	J/mol×K	675.56	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,2-Dimethyl-3(2H)-furanone.

Sources

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

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