Chemical Properties of 2(5H)-Furanone, 5-ethyl-3-hydroxy-4-methyl- (CAS 698-10-2)

InChI

InChI=1S/C7H10O3/c1-3-5-4(2)6(8)7(9)10-5/h5,8H,3H2,1-2H3

InChI Key

IUFQZPBIRYFPFD-UHFFFAOYSA-N

Formula

C7H10O3

SMILES

CCC1OC(=O)C(O)=C1C

Molecular Weight¹

142.15

CAS

698-10-2

Other Names

• 5-Ethyl-3-hydroxy-4-methyl-2(5H)-furanone
• Abhexone
• 2-Hexenoic acid, 2,4-dihydroxy-3-methyl-, «gamma»-lactone
• 3-hydroxy-5-ethyl-4-methyl-2-(5H)-furanone
• 5-Ethyl-4-methyl-3-hydroxy-2(5H)furanone
• 5-Ethyl-3-hydroxy-4-methylfuran-2(5H)-one
• 4-Methyl-5-ethyl-3-hydroxyfuranone
• Abhexon
• 5-Ethyl-4-methyl-3-hydroxy-2(5H)furanone (Abhexone)

• 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	0.5417		Relay (1.0) Calculated Property
ΔfG°	-290.22	kJ/mol	Joback Calculated Property
ΔfH°gas	-515.19	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	19.84	kJ/mol	Joback Calculated Property
ΔvapH°	74.76	kJ/mol	Relay (1.0) Calculated Property
IE	9.68	eV	Relay (1.0) Calculated Property
log10WS	-1.35		Relay (1.0) Calculated Property
logPoct/wat	1.154		Crippen Calculated Property
McVol	107.640	ml/mol	McGowan Calculated Property
Pc	3975.52	kPa	Joback Calculated Property
Inp	[1150.00; 1227.00]
Inp	1217.00		NIST
Inp	1227.00		NIST
Inp	1192.00		NIST
Inp	1180.00		NIST
Inp	1196.00		NIST
Inp	1196.00		NIST
Inp	1156.00		NIST
Inp	1150.00		NIST
Inp	1150.00		NIST
Inp	1198.00		NIST
Inp	1198.00		NIST
Inp	1193.00		NIST
Inp	1217.00		NIST
Inp	1150.00		NIST
I	[2244.00; 2304.00]
I	2244.00		NIST
I	2246.00		NIST
I	2263.00		NIST
I	2267.00		NIST
I	2267.00		NIST
I	2260.00		NIST
I	2260.00		NIST
I	Outlier 2304.00		NIST
I	Outlier 2304.00		NIST
I	2247.00		NIST
I	2250.00		NIST
I	2250.00		NIST
I	2270.00		NIST
I	2260.00		NIST
Tboil	505.77	K	Relay (1.0) Calculated Property
Tc	717.23	K	Relay (1.0) Calculated Property
Tfus	338.44	K	Relay (1.0) Calculated Property
Vc	0.385	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[265.78; 322.24]	J/mol×K	[570.91; 774.52]
Cp,gas	265.78	J/mol×K	570.91	Joback Calculated Property
Cp,gas	276.34	J/mol×K	604.85	Joback Calculated Property
Cp,gas	286.45	J/mol×K	638.78	Joback Calculated Property
Cp,gas	296.11	J/mol×K	672.72	Joback Calculated Property
Cp,gas	305.30	J/mol×K	706.65	Joback Calculated Property
Cp,gas	314.01	J/mol×K	740.59	Joback Calculated Property
Cp,gas	322.24	J/mol×K	774.52	Joback Calculated Property

Similar Compounds

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

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.