Chemical Properties of 4-hydroxy-5-methyl-3(2H)-furanone (CAS 19322-27-1)

InChI

InChI=1S/C5H6O3/c1-3-5(7)4(6)2-8-3/h7H,2H2,1H3

InChI Key

DLVYTANECMRFGX-UHFFFAOYSA-N

Formula

C5H6O3

SMILES

CC1=C(O)C(=O)CO1

Molecular Weight¹

114.10

CAS

19322-27-1

Other Names

• Norfuraneol
• 4-Hydroxy-5-methyl-3(2H)-dihydrofuranone
• 3(2H)-Furanone, 4-hydroxy-5-methyl-
• 4-hydroxy-5-methylfuran-3(2H)-one

• 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°	-299.35	kJ/mol	Joback Calculated Property
ΔfH°gas	-452.80	kJ/mol	Joback Calculated Property
ΔfusH°	13.59	kJ/mol	Joback Calculated Property
ΔvapH°	54.34	kJ/mol	Joback Calculated Property
log10WS	-0.35		Crippen Calculated Property
logPoct/wat	0.375		Crippen Calculated Property
McVol	79.460	ml/mol	McGowan Calculated Property
Pc	5398.63	kPa	Joback Calculated Property
Inp	[1040.00; 1087.00]
Inp	1054.00		NIST
Inp	1087.00		NIST
Inp	1042.00		NIST
Inp	1040.00		NIST
Inp	1044.00		NIST
Inp	1075.00		NIST
I	[2105.00; 2124.00]
I	2124.00		NIST
I	2114.00		NIST
I	2120.00		NIST
I	2117.00		NIST
I	Outlier 2105.00		NIST
I	2123.00		NIST
I	2114.00		NIST
I	2124.00		NIST
I	2123.00		NIST
Tboil	529.82	K	Joback Calculated Property
Tc	739.97	K	Joback Calculated Property
Tfus	342.66	K	Joback Calculated Property
Vc	0.290	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[177.29; 219.76]	J/mol×K	[529.82; 739.97]
Cp,gas	177.29	J/mol×K	529.82	Joback Calculated Property
Cp,gas	185.19	J/mol×K	564.85	Joback Calculated Property
Cp,gas	192.77	J/mol×K	599.87	Joback Calculated Property
Cp,gas	200.03	J/mol×K	634.90	Joback Calculated Property
Cp,gas	206.95	J/mol×K	669.92	Joback Calculated Property
Cp,gas	213.53	J/mol×K	704.95	Joback Calculated Property
Cp,gas	219.76	J/mol×K	739.97	Joback Calculated Property

Similar Compounds

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

Sources

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

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.