Chemical Properties of 5-Ethyl-4-hydroxy-2-methyl-3(2H)-furanone, acetate

InChI

InChI=1S/C9H12O4/c1-4-7-8(11)9(5(2)12-7)13-6(3)10/h7H,4H2,1-3H3

InChI Key

GTIGIDDMNIPUBG-UHFFFAOYSA-N

Formula

C9H12O4

SMILES

CCC1OC(C)=C(OC(C)=O)C1=O

Molecular Weight¹

184.19

Other Names

• 2-Ethyl-4-hydroxy-5-methyl-3(2H)-furanone, acetate

• 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_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
ω	0.5246		Relay (1.0) Calculated Property
ΔfG°	-370.48	kJ/mol	Joback Calculated Property
ΔfH°gas	-673.66	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	23.72	kJ/mol	Joback Calculated Property
ΔvapH°	67.96	kJ/mol	Relay (1.0) Calculated Property
IE	8.63	eV	Relay (1.0) Calculated Property
log10WS	-1.50		Relay (1.0) Calculated Property
logPoct/wat	1.159		Crippen Calculated Property
McVol	137.390	ml/mol	McGowan Calculated Property
Pc	3005.73	kPa	Joback Calculated Property
Inp	[1330.50; 1330.50]
Inp	1330.50		NIST
Inp	1330.50		NIST
Tboil	499.12	K	Relay (1.0) Calculated Property
Tc	701.53	K	Relay (1.0) Calculated Property
Tfus	323.95	K	Relay (1.0) Calculated Property
Vc	0.507	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[347.49; 417.96]	J/mol×K	[600.78; 818.33]
Cp,gas	347.49	J/mol×K	600.78	Joback Calculated Property
Cp,gas	360.92	J/mol×K	637.04	Joback Calculated Property
Cp,gas	373.71	J/mol×K	673.30	Joback Calculated Property
Cp,gas	385.83	J/mol×K	709.56	Joback Calculated Property
Cp,gas	397.27	J/mol×K	745.82	Joback Calculated Property
Cp,gas	407.98	J/mol×K	782.08	Joback Calculated Property
Cp,gas	417.96	J/mol×K	818.33	Joback Calculated Property

Similar Compounds

Find more compounds similar to 5-Ethyl-4-hydroxy-2-methyl-3(2H)-furanone, acetate.

Sources

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

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