- 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
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- csound,fluid : Speed of sound in fluid (m/s).
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -373.65 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 10.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.53 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 0.322 | Crippen Calculated Property | |
| McVol | 63.800 | ml/mol | McGowan Calculated Property |
| Tboil | 423.36 | K | Relay (1.0) Calculated Property |
| Tfus | 218.37 | K | Relay (1.0) Calculated Property |
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 | [111.21; 153.23] | J/mol×K | [351.81; 534.40] | 
|
| Cp,gas | 111.21 | J/mol×K | 351.81 | Joback Calculated Property |
| Cp,gas | 119.27 | J/mol×K | 382.24 | Joback Calculated Property |
| Cp,gas | 126.88 | J/mol×K | 412.67 | Joback Calculated Property |
| Cp,gas | 134.07 | J/mol×K | 443.11 | Joback Calculated Property |
| Cp,gas | 140.84 | J/mol×K | 473.54 | Joback Calculated Property |
| Cp,gas | 147.22 | J/mol×K | 503.97 | Joback Calculated Property |
| Cp,gas | 153.23 | J/mol×K | 534.40 | Joback Calculated Property |
| η | [0.0003386; 0.0007255] | Pa×s | [198.63; 351.81] |
|
| η | 0.0007255 | Pa×s | 198.63 | Joback Calculated Property |
| η | 0.0005944 | Pa×s | 224.16 | Joback Calculated Property |
| η | 0.0005072 | Pa×s | 249.69 | Joback Calculated Property |
| η | 0.0004458 | Pa×s | 275.22 | Joback Calculated Property |
| η | 0.0004005 | Pa×s | 300.75 | Joback Calculated Property |
| η | 0.0003658 | Pa×s | 326.28 | Joback Calculated Property |
| η | 0.0003386 | Pa×s | 351.81 | 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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