Chemical Properties of 2(5)-ethyl-4-hydroxy-5(2)-methyl-3(2H)-furanone (ethylfuraneol)

InChI

InChI=1S/C7H12O3/c1-3-5-7(9)6(8)4(2)10-5/h4-6,8H,3H2,1-2H3

InChI Key

HGPVPAUYWUMPGW-UHFFFAOYSA-N

Formula

C7H12O3

SMILES

CCC1OC(C)C(O)C1=O

Molecular Weight¹

144.17

• 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°	-316.34	kJ/mol	Joback Calculated Property
ΔfH°gas	-589.94	kJ/mol	Joback Calculated Property
ΔfusH°	21.54	kJ/mol	Joback Calculated Property
ΔvapH°	56.25	kJ/mol	Joback Calculated Property
log10WS	-0.61		Crippen Calculated Property
logPoct/wat	0.114		Crippen Calculated Property
McVol	111.940	ml/mol	McGowan Calculated Property
Pc	3637.73	kPa	Joback Calculated Property
Inp	[1145.00; 1145.00]
Inp	1145.00		NIST
Inp	1145.00		NIST
I	2064.00		NIST
Tboil	552.45	K	Joback Calculated Property
Tc	751.92	K	Joback Calculated Property
Tfus	326.68	K	Joback Calculated Property
Vc	0.413	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[289.94; 359.10]	J/mol×K	[552.45; 751.92]
Cp,gas	289.94	J/mol×K	552.45	Joback Calculated Property
Cp,gas	302.87	J/mol×K	585.69	Joback Calculated Property
Cp,gas	315.25	J/mol×K	618.94	Joback Calculated Property
Cp,gas	327.08	J/mol×K	652.18	Joback Calculated Property
Cp,gas	338.34	J/mol×K	685.43	Joback Calculated Property
Cp,gas	349.02	J/mol×K	718.67	Joback Calculated Property
Cp,gas	359.10	J/mol×K	751.92	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2(5)-ethyl-4-hydroxy-5(2)-methyl-3(2H)-furanone (ethylfuraneol).

Sources

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

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