Chemical Properties of 2(5H)-Furanone, 3-hydroxy-4,5-dimethyl- (CAS 28664-35-9)

InChI

InChI=1S/C6H8O3/c1-3-4(2)9-6(8)5(3)7/h4,7H,1-2H3

InChI Key

UNYNVICDCJHOPO-UHFFFAOYSA-N

Formula

C6H8O3

SMILES

CC1=C(O)C(=O)OC1C

Molecular Weight¹

128.13

CAS

28664-35-9

Other Names

• Sotolone
• 4,5-Dimethyl-3-hydroxy-2(5H)-furanone
• Furan-2(5H)-one, 3-hydroxy-4,5-dimethyl-
• 3-Hydroxy-4,5-dimethyl-2(5H)-furanone
• Sotolon
• 3-Hydroxy-4,5-dimethyl-5H-furan-2-one
• 3-Hydroxy-4,5-dimethylfuran-2(5H)-one
• 4,5-Dimethyl-3-hydroxy-2,5-dihydrofuran-2-one
• 2,3-Dimethyl-4-hydroxy-2,5-dihydrofuran-5-one
• 3-hydroxy-4,5-dimethyl-2(5H)-furanone (sotolon)
• 4,5-dimethyl-3-hydroxy-2-(5H)-furanone (sotolon)
• 3-hydroxy-4,5-dimethylfuran-2( 5H)-one (sotolon)
• 4,5-dimethyl-3-hydroxy-2,5-dihydrofuran-2-one (sotolon)

• 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°	-298.64	kJ/mol	Joback Calculated Property
ΔfH°gas	-493.78	kJ/mol	Joback Calculated Property
ΔfusH°	17.25	kJ/mol	Joback Calculated Property
ΔvapH°	56.26	kJ/mol	Joback Calculated Property
log10WS	-0.88		Crippen Calculated Property
logPoct/wat	0.764		Crippen Calculated Property
McVol	93.550	ml/mol	McGowan Calculated Property
Pc	4504.30	kPa	Joback Calculated Property
Inp	[1063.00; 1131.00]
Inp	1105.00		NIST
Inp	1108.00		NIST
Inp	1082.00		NIST
Inp	1116.00		NIST
Inp	1120.00		NIST
Inp	1099.00		NIST
Inp	1127.00		NIST
Inp	1118.00		NIST
Inp	1108.00		NIST
Inp	1108.00		NIST
Inp	1120.00		NIST
Inp	1108.00		NIST
Inp	1113.00		NIST
Inp	1111.00		NIST
Inp	1107.00		NIST
Inp	1118.00		NIST
Inp	1112.00		NIST
Inp	1110.00		NIST
Inp	1112.00		NIST
Inp	1131.00		NIST
Inp	1122.00		NIST
Inp	1110.00		NIST
Inp	1110.00		NIST
Inp	1104.00		NIST
Inp	1100.00		NIST
Inp	1110.00		NIST
Inp	1112.00		NIST
Inp	1112.00		NIST
Inp	1112.00		NIST
Inp	1082.00		NIST
Inp	1112.00		NIST
Inp	1109.00		NIST
Inp	1115.00		NIST
Inp	1116.00		NIST
Inp	1110.00		NIST
Inp	1110.00		NIST
Inp	1079.00		NIST
Inp	1127.00		NIST
Inp	1095.00		NIST
Inp	1107.00		NIST
Inp	1109.00		NIST
Inp	1081.00		NIST
Inp	1124.00		NIST
Inp	Outlier 1063.00		NIST
Inp	Outlier 1065.00		NIST
Inp	Outlier 1068.00		NIST
Inp	Outlier 1068.00		NIST
Inp	1114.00		NIST
Inp	Outlier 1068.00		NIST
Inp	1110.00		NIST
Inp	1118.00		NIST
Inp	1120.00		NIST
Inp	1107.00		NIST
Inp	1110.00		NIST
Inp	1109.00		NIST
Inp	1110.00		NIST
Inp	Outlier 1068.00		NIST
Inp	Outlier 1068.00		NIST
Inp	1105.00		NIST
Inp	1110.00		NIST
Inp	1114.00		NIST
Inp	1110.00		NIST
Inp	1112.00		NIST
Inp	1114.00		NIST
Inp	1122.00		NIST
Inp	1110.00		NIST
Inp	1107.00		NIST
Inp	1109.00		NIST
Inp	1079.00		NIST
Inp	1081.00		NIST
I	[2153.00; 2245.00]
I	2198.00		NIST
I	2191.00		NIST
I	2190.00		NIST
I	2190.00		NIST
I	2192.00		NIST
I	2210.00		NIST
I	2177.00		NIST
I	2210.00		NIST
I	2196.00		NIST
I	2203.00		NIST
I	2186.00		NIST
I	2208.00		NIST
I	2191.00		NIST
I	2203.00		NIST
I	2164.00		NIST
I	2181.00		NIST
I	2186.00		NIST
I	2204.00		NIST
I	2190.00		NIST
I	2205.00		NIST
I	Outlier 2237.00		NIST
I	2193.00		NIST
I	2212.00		NIST
I	2220.00		NIST
I	2206.00		NIST
I	2193.00		NIST
I	2223.00		NIST
I	2211.00		NIST
I	2197.00		NIST
I	2196.00		NIST
I	2196.00		NIST
I	2196.00		NIST
I	2199.00		NIST
I	2170.00		NIST
I	2169.00		NIST
I	2227.00		NIST
I	2203.00		NIST
I	2194.00		NIST
I	2200.00		NIST
I	2194.00		NIST
I	Outlier 2153.00		NIST
I	Outlier 2153.00		NIST
I	Outlier 2153.00		NIST
I	2203.00		NIST
I	2183.00		NIST
I	Outlier 2153.00		NIST
I	2195.00		NIST
I	2194.00		NIST
I	2192.00		NIST
I	2235.00		NIST
I	2225.00		NIST
I	Outlier 2243.00		NIST
I	2186.00		NIST
I	2186.00		NIST
I	2235.00		NIST
I	2204.00		NIST
I	2191.00		NIST
I	2225.00		NIST
I	2225.00		NIST
I	2206.00		NIST
I	2192.00		NIST
I	2185.00		NIST
I	Outlier 2245.00		NIST
I	2193.00		NIST
I	2169.00		NIST
I	2205.00		NIST
I	2213.00		NIST
I	2190.00		NIST
I	2195.00		NIST
I	2213.00		NIST
I	2204.00		NIST
I	2213.00		NIST
I	2204.00		NIST
I	2193.00		NIST
I	2196.00		NIST
I	2217.00		NIST
I	2214.00		NIST
I	2172.00		NIST
I	2180.00		NIST
I	2196.00		NIST
I	2190.00		NIST
I	2213.00		NIST
I	2213.00		NIST
I	2181.00		NIST
I	2192.00		NIST
I	2235.00		NIST
I	2188.00		NIST
I	Outlier 2239.00		NIST
I	2200.00		NIST
I	2192.00		NIST
I	2172.00		NIST
I	2182.00		NIST
I	2182.00		NIST
I	2192.00		NIST
I	2215.00		NIST
I	2192.00		NIST
I	2200.00		NIST
I	Outlier 2237.00		NIST
I	2193.00		NIST
I	2196.00		NIST
I	2227.00		NIST
I	Outlier 2153.00		NIST
I	2213.00		NIST
I	2214.00		NIST
I	2188.00		NIST
I	2182.00		NIST
I	2200.00		NIST
I	2198.00		NIST
I	2210.00		NIST
I	2186.00		NIST
I	2181.00		NIST
Tboil	548.03	K	Joback Calculated Property
Tc	754.77	K	Joback Calculated Property
Tfus	349.69	K	Joback Calculated Property
Vc	0.345	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[221.64; 272.59]	J/mol×K	[548.03; 754.77]
Cp,gas	221.64	J/mol×K	548.03	Joback Calculated Property
Cp,gas	231.11	J/mol×K	582.49	Joback Calculated Property
Cp,gas	240.20	J/mol×K	616.94	Joback Calculated Property
Cp,gas	248.92	J/mol×K	651.40	Joback Calculated Property
Cp,gas	257.23	J/mol×K	685.86	Joback Calculated Property
Cp,gas	265.12	J/mol×K	720.32	Joback Calculated Property
Cp,gas	272.59	J/mol×K	754.77	Joback Calculated Property

Similar Compounds

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

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.