Chemical Properties of 3(2H)-Furanone, dihydro-2-methyl- (CAS 3188-00-9)

InChI

InChI=1S/C5H8O2/c1-4-5(6)2-3-7-4/h4H,2-3H2,1H3

InChI Key

FCWYQRVIQDNGBI-UHFFFAOYSA-N

Formula

C5H8O2

SMILES

CC1OCCC1=O

Molecular Weight¹

100.12

CAS

3188-00-9

Other Names

• 2-Methyl-3(2H)-dihydrofuranone
• 2-Methyl-3-ketotetrahydrofuran
• 2-Methyl-3-oxo-tetrahydrofuran
• 2-Methyl-3-tetrahydrofuranone
• 2-Methyl-4,5-dihydro-3(2H)-furanone
• 2-Methyl-4,5-dihydro-furan-3-one
• 2-Methyl-dihydro-(2H)-furan-3-one
• 2-Methyl-dihydro-3(H)-Furanone
• 2-Methyldihydro-2(3H)-furanone
• 2-Methyldihydro-3(2H)furanone
• 2-Methyloxolan-3-one
• 2-Methyltetrahydro-3-furanone
• 2-Methyltetrahydrofuran-3-one
• Dihydro-2-methyl-3(2H)-furanone
• Dihydro-2-methyl-3-furanone
• Dihyro-2-methyl-3(2H)-furanone
• 2-Methyltetrahydrofuranone

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• I_p : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-333.63	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	10.13	kJ/mol	Joback Calculated Property
ΔvapH°	46.85	kJ/mol	Relay (1.0) Calculated Property
IE	9.58	eV	Relay (1.0) Calculated Property
logPoct/wat	0.364		Crippen Calculated Property
McVol	77.890	ml/mol	McGowan Calculated Property
Inp	[751.00; 821.00]
Inp	806.00		NIST
Inp	760.00		NIST
Inp	776.00		NIST
Inp	777.00		NIST
Inp	782.00		NIST
Inp	768.10		NIST
Inp	805.00		NIST
Inp	804.00		NIST
Inp	817.00		NIST
Inp	812.00		NIST
Inp	Outlier 751.00		NIST
Inp	773.00		NIST
Inp	776.00		NIST
Inp	775.00		NIST
Inp	812.00		NIST
Inp	821.00		NIST
Inp	774.00		NIST
Inp	806.00		NIST
Inp	812.00		NIST
Inp	819.00		NIST
Inp	816.00		NIST
Inp	807.00		NIST
Inp	804.00		NIST
Inp	780.00		NIST
Inp	780.00		NIST
Inp	779.00		NIST
Inp	781.00		NIST
Inp	770.00		NIST
Inp	774.00		NIST
Inp	806.00		NIST
Inp	812.00		NIST
Inp	806.00		NIST
Inp	810.00		NIST
Inp	806.00		NIST
Inp	808.00		NIST
Inp	775.00		NIST
Inp	810.00		NIST
Inp	810.00		NIST
Inp	775.00		NIST
Inp	808.00		NIST
Inp	781.00		NIST
Inp	806.00		NIST
Inp	804.00		NIST
Inp	781.00		NIST
Ip	[1242.00; 1306.00]
Ip	1260.00		NIST
Ip	Outlier 1304.00		NIST
Ip	1270.00		NIST
Ip	1249.00		NIST
Ip	1251.00		NIST
Ip	1260.00		NIST
Ip	1269.00		NIST
Ip	1268.00		NIST
Ip	1268.00		NIST
Ip	1286.00		NIST
Ip	Outlier 1304.00		NIST
Ip	1259.00		NIST
Ip	1242.00		NIST
Ip	1266.00		NIST
Ip	1288.00		NIST
Ip	1268.00		NIST
Ip	1248.00		NIST
Ip	1249.00		NIST
Ip	1250.00		NIST
Ip	1276.00		NIST
Ip	1286.00		NIST
Ip	1242.00		NIST
Ip	1283.00		NIST
Ip	1282.00		NIST
Ip	1271.00		NIST
Ip	1242.00		NIST
Ip	1274.00		NIST
Ip	1275.00		NIST
Ip	1276.00		NIST
Ip	1286.00		NIST
Ip	1283.00		NIST
Ip	1283.00		NIST
Ip	1283.00		NIST
Ip	Outlier 1306.00		NIST
Ip	1254.00		NIST
Ip	1243.00		NIST
Ip	1263.00		NIST
Ip	1245.00		NIST
Ip	1250.00		NIST
Ip	1246.00		NIST
Ip	1260.00		NIST
Ip	1265.00		NIST
Ip	1271.00		NIST
Ip	1271.00		NIST
Ip	1267.00		NIST
Ip	1283.00		NIST
Ip	1277.00		NIST
Ip	1246.00		NIST
Ip	1271.00		NIST
Tboil	412.20	K	NIST
Tfus	288.28	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[102.06; 279.23]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-8.39000e+00
Coefficient B			4.39220e-01
Coefficient C			-1.17700e-04
Coefficient D			-3.39000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	102.06	J/mol×K	273.00	Calculated Property
Cp,gas	130.76	J/mol×K	353.78	Calculated Property
Cp,gas	157.47	J/mol×K	434.56	Calculated Property
Cp,gas	182.06	J/mol×K	515.33	Calculated Property
Cp,gas	204.43	J/mol×K	596.11	Calculated Property
Cp,gas	224.47	J/mol×K	676.89	Calculated Property
Cp,gas	242.08	J/mol×K	757.67	Calculated Property
Cp,gas	257.15	J/mol×K	838.44	Calculated Property
Cp,gas	269.57	J/mol×K	919.22	Calculated Property
Cp,gas	279.23	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 3(2H)-Furanone, dihydro-2-methyl-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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.
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