Chemical Properties of 2-Oxetanone, 4-methyl- (CAS 3068-88-0)

InChI

InChI=1S/C4H6O2/c1-3-2-4(5)6-3/h3H,2H2,1H3

InChI Key

GSCLMSFRWBPUSK-UHFFFAOYSA-N

Formula

C4H6O2

SMILES

CC1CC(=O)O1

Molecular Weight¹

86.09

CAS

3068-88-0

Other Names

• .beta.-butyrolactone
• .beta.-methyl-.beta.-propiolactone
• .beta.-methylpropiolactone
• 2-butenoic lactone
• 3-Hydroxybutanoic acid, «beta»-lactone
• 3-Hydroxybutyric acid, «beta»-lactone
• 3-butanolide
• 3-hydroxybutyric acid .beta.-lactone
• 3-hydroxybutyric acid lactone
• 3-methyl-3-propiolactone
• 4-methyl-2-oxetanone
• 4-methyloxetan-2-one
• Butanoic acid, 3-hydroxy-, beta-lactone
• DL-«beta»-Butyrolactone
• Hydroxybutyric acid lactone
• butanoic acid, 3-hydroxy-, .beta.-lactone
• butyric acid, 3-hydroxy-, .beta.-lactone
• «beta»-Butyrolactone
• «beta»-Butyrolakton

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• c_sound,fluid : Speed of sound in fluid (m/s).
• 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

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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	[119.74; 169.04]	J/mol×K	[396.70; 609.99]
Cp,gas	119.74	J/mol×K	396.70	Joback Calculated Property
Cp,gas	128.80	J/mol×K	432.25	Joback Calculated Property
Cp,gas	137.52	J/mol×K	467.80	Joback Calculated Property
Cp,gas	145.91	J/mol×K	503.34	Joback Calculated Property
Cp,gas	153.96	J/mol×K	538.89	Joback Calculated Property
Cp,gas	161.68	J/mol×K	574.44	Joback Calculated Property
Cp,gas	169.04	J/mol×K	609.99	Joback Calculated Property
csound,fluid	[1263.57; 1371.04]	m/s	[293.15; 323.15]
csound,fluid	1371.04	m/s	293.15	A comparative study on the interactions of [bmim][NTf2] ionic liquid with selected four- to seven-membered-ring lactones
csound,fluid	1352.77	m/s	298.15	A comparative study on the interactions of [bmim][NTf2] ionic liquid with selected four- to seven-membered-ring lactones
csound,fluid	1334.65	m/s	303.15	A comparative study on the interactions of [bmim][NTf2] ionic liquid with selected four- to seven-membered-ring lactones
csound,fluid	1316.65	m/s	308.15	A comparative study on the interactions of [bmim][NTf2] ionic liquid with selected four- to seven-membered-ring lactones
csound,fluid	1298.78	m/s	313.15	A comparative study on the interactions of [bmim][NTf2] ionic liquid with selected four- to seven-membered-ring lactones
csound,fluid	1281.08	m/s	318.15	A comparative study on the interactions of [bmim][NTf2] ionic liquid with selected four- to seven-membered-ring lactones
csound,fluid	1263.57	m/s	323.15	A comparative study on the interactions of [bmim][NTf2] ionic liquid with selected four- to seven-membered-ring lactones

Similar Compounds

Find more compounds similar to 2-Oxetanone, 4-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
• A comparative study on the interactions of [bmim][NTf2] ionic liquid with selected four- to seven-membered-ring lactones
• Joback Method
• McGowan Method
• NIST Webbook

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