Chemical Properties of 2(5H)-Furanone, 3-methyl- (CAS 22122-36-7)

InChI

InChI=1S/C5H6O2/c1-4-2-3-7-5(4)6/h2H,3H2,1H3

InChI Key

VGHBEMPMIVEGJP-UHFFFAOYSA-N

Formula

C5H6O2

SMILES

CC1=CCOC1=O

Molecular Weight¹

98.10

CAS

22122-36-7

Other Names

• «alpha»-Methyl-«gamma»-crotonolactone
• 2-Methyl-2-butenolide
• 3-Methyl-2(5H)-furanone
• 2-Methyl-2-buten-4-olide

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	10.97	kJ/mol	Joback Calculated Property
logPoct/wat	0.489		Crippen Calculated Property
McVol	73.590	ml/mol	McGowan Calculated Property
Inp	[977.00; 989.00]
Inp	989.00		NIST
Inp	982.00		NIST
Inp	983.00		NIST
Inp	986.00		NIST
Inp	989.00		NIST
Inp	979.00		NIST
Inp	977.00		NIST
Inp	983.00		NIST
Inp	982.00		NIST
Inp	977.00		NIST
Inp	989.00		NIST
I	[1682.00; 1759.00]
I	1759.00		NIST
I	1713.00		NIST
I	1713.00		NIST
I	1697.00		NIST
I	1718.00		NIST
I	1759.00		NIST
I	1750.00		NIST
I	1750.00		NIST
I	1759.00		NIST
I	1682.00		NIST
I	1713.00		NIST
I	1683.00		NIST
I	1700.00		NIST
I	1694.00		NIST
I	1726.00		NIST
I	1683.00		NIST
I	1718.00		NIST
I	1683.00		NIST
Tfus	255.63	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[131.25; 173.39]	J/mol×K	[387.77; 581.87]
Cp,gas	131.25	J/mol×K	387.77	Joback Calculated Property
Cp,gas	139.39	J/mol×K	420.12	Joback Calculated Property
Cp,gas	147.05	J/mol×K	452.47	Joback Calculated Property
Cp,gas	154.27	J/mol×K	484.82	Joback Calculated Property
Cp,gas	161.05	J/mol×K	517.17	Joback Calculated Property
Cp,gas	167.41	J/mol×K	549.52	Joback Calculated Property
Cp,gas	173.39	J/mol×K	581.87	Joback Calculated Property
η	[0.0003562; 0.0014834]	Pa×s	[223.90; 387.77]
η	0.0014834	Pa×s	223.90	Joback Calculated Property
η	0.0010277	Pa×s	251.21	Joback Calculated Property
η	0.0007651	Pa×s	278.52	Joback Calculated Property
η	0.0006005	Pa×s	305.83	Joback Calculated Property
η	0.0004904	Pa×s	333.15	Joback Calculated Property
η	0.0004129	Pa×s	360.46	Joback Calculated Property
η	0.0003562	Pa×s	387.77	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2(5H)-Furanone, 3-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.
These property values are available through the Cheméo API. A free account gives you an access key.