Chemical Properties of 4-acetoxy-2,5-dimethyl-3(2H)-furanone

InChI

InChI=1S/C8H10O4/c1-4-7(10)8(5(2)11-4)12-6(3)9/h4H,1-3H3

InChI Key

VPKIUOQJQJVLRW-UHFFFAOYSA-N

Formula

C8H10O4

SMILES

CC(=O)OC1=C(C)OC(C)C1=O

Molecular Weight¹

170.16

Other Names

• Furaneol 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 : 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	0.4956		Relay (1.0) Calculated Property
ΔfG°	-378.90	kJ/mol	Joback Calculated Property
ΔfH°gas	-666.04	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	21.13	kJ/mol	Joback Calculated Property
ΔvapH°	64.65	kJ/mol	Relay (1.0) Calculated Property
IE	8.67	eV	Relay (1.0) Calculated Property
log10WS	-1.19		Relay (1.0) Calculated Property
logPoct/wat	0.769		Crippen Calculated Property
McVol	123.300	ml/mol	McGowan Calculated Property
Pc	3348.98	kPa	Joback Calculated Property
I	[1968.00; 1968.00]
I	1968.00		NIST
I	1968.00		NIST
Tboil	481.63	K	Relay (1.0) Calculated Property
Tc	689.35	K	Relay (1.0) Calculated Property
Tfus	336.87	K	Relay (1.0) Calculated Property
Vc	0.463	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[300.59; 366.49]	J/mol×K	[577.90; 799.39]
Cp,gas	300.59	J/mol×K	577.90	Joback Calculated Property
Cp,gas	313.06	J/mol×K	614.82	Joback Calculated Property
Cp,gas	324.99	J/mol×K	651.73	Joback Calculated Property
Cp,gas	336.32	J/mol×K	688.65	Joback Calculated Property
Cp,gas	347.04	J/mol×K	725.56	Joback Calculated Property
Cp,gas	357.11	J/mol×K	762.48	Joback Calculated Property
Cp,gas	366.49	J/mol×K	799.39	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-acetoxy-2,5-dimethyl-3(2H)-furanone.

Sources

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

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