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

• 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	0.5283		Relay (... Calculated Property
ΔfG°	-299.35	kJ/mol	Joback Calculated Property
ΔfH°gas	-399.27	kJ/mol	Relay (... Calculated Property
ΔfusH°	13.59	kJ/mol	Joback Calculated Property
ΔvapH°	67.10	kJ/mol	Relay (... Calculated Property
IE	9.24	eV	Relay (... Calculated Property
log10WS	-0.82		Relay (... 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	484.49	K	Relay (... Calculated Property
Tc	745.39	K	Relay (... Calculated Property
Tfus	359.62	K	Relay (... Calculated Property
Vc	0.286	m3/kmol	Relay (... 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

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.