Chemical Properties of 2,5-Dimethyl-4-hydroxy-2(5H)-furanone

InChI

InChI=1S/C5H6O3/c1-3-4(6)2-5(7)8-3/h2-3,6H,1H3

InChI Key

JGAAAWQBYJNOIW-UHFFFAOYSA-N

Formula

C5H6O3

SMILES

CC1OC(=O)C=C1O

Molecular Weight¹

114.10

• 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.
• 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	0.4962		Relay (1.0) Calculated Property
ΔfG°	-297.43	kJ/mol	Joback Calculated Property
ΔfH°gas	-537.10	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	15.05	kJ/mol	Joback Calculated Property
ΔvapH°	72.47	kJ/mol	Relay (1.0) Calculated Property
IE	9.62	eV	Relay (1.0) Calculated Property
log10WS	-0.57		Relay (1.0) Calculated Property
logPoct/wat	0.374		Crippen Calculated Property
McVol	79.460	ml/mol	McGowan Calculated Property
Pc	5258.62	kPa	Joback Calculated Property
Inp	[1062.00; 1062.00]
Inp	1062.00		NIST
Inp	1062.00		NIST
I	[2024.00; 2031.00]
I	2024.00		NIST
I	2031.00		NIST
Tboil	504.14	K	Relay (1.0) Calculated Property
Tc	688.18	K	Relay (1.0) Calculated Property
Tfus	379.94	K	Relay (1.0) Calculated Property
Vc	0.295	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[180.26; 226.09]	J/mol×K	[520.17; 729.03]
Cp,gas	180.26	J/mol×K	520.17	Joback Calculated Property
Cp,gas	188.80	J/mol×K	554.98	Joback Calculated Property
Cp,gas	197.00	J/mol×K	589.79	Joback Calculated Property
Cp,gas	204.83	J/mol×K	624.60	Joback Calculated Property
Cp,gas	212.30	J/mol×K	659.41	Joback Calculated Property
Cp,gas	219.39	J/mol×K	694.22	Joback Calculated Property
Cp,gas	226.09	J/mol×K	729.03	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,5-Dimethyl-4-hydroxy-2(5H)-furanone.

Sources

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

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