Chemical Properties of 3(2H)-Furanone

InChI

InChI=1S/C4H4O2/c5-4-1-2-6-3-4/h1-2H,3H2

InChI Key

LYINKTVZUSKQEQ-UHFFFAOYSA-N

Formula

C4H4O2

SMILES

O=C1C=COC1

Molecular Weight¹

84.07

• 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	0.3390		Relay (1.0) Calculated Property
ΔfG°	-151.69	kJ/mol	Joback Calculated Property
ΔfH°gas	-206.31	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	7.69	kJ/mol	Joback Calculated Property
ΔvapH°	43.95	kJ/mol	Relay (1.0) Calculated Property
IE	9.17	eV	Relay (1.0) Calculated Property
log10WS	0.07		Relay (1.0) Calculated Property
logPoct/wat	0.099		Crippen Calculated Property
McVol	59.500	ml/mol	McGowan Calculated Property
Pc	5678.82	kPa	Joback Calculated Property
I	[1449.00; 1449.00]
I	1449.00		NIST
I	1449.00		NIST
Tboil	418.86	K	Relay (1.0) Calculated Property
Tc	639.81	K	Relay (1.0) Calculated Property
Tfus	328.32	K	Relay (1.0) Calculated Property
Vc	0.216	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[103.50; 147.27]	J/mol×K	[404.80; 630.37]
Cp,gas	103.50	J/mol×K	404.80	Joback Calculated Property
Cp,gas	111.68	J/mol×K	442.39	Joback Calculated Property
Cp,gas	119.51	J/mol×K	479.99	Joback Calculated Property
Cp,gas	126.99	J/mol×K	517.58	Joback Calculated Property
Cp,gas	134.12	J/mol×K	555.18	Joback Calculated Property
Cp,gas	140.88	J/mol×K	592.77	Joback Calculated Property
Cp,gas	147.27	J/mol×K	630.37	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3(2H)-Furanone.

Sources

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

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