- 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).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- 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).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- csound,fluid : Speed of sound in fluid (m/s).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | -177.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -328.95 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 9.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 33.34 | kJ/mol | Joback Calculated Property |
| log10WS | -0.37 | Crippen Calculated Property | |
| logPoct/wat | 0.322 | Crippen Calculated Property | |
| McVol | 63.800 | ml/mol | McGowan Calculated Property |
| Pc | 4952.36 | kPa | Joback Calculated Property |
| Tboil | 396.70 | K | Joback Calculated Property |
| Tc | 609.99 | K | Joback Calculated Property |
| Tfus | 244.05 | K | Joback Calculated Property |
| Vc | 0.236 | m3/kmol | Joback Calculated Property |
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 compa... |
| csound,fluid | 1352.77 | m/s | 298.15 | A compa... |
| csound,fluid | 1334.65 | m/s | 303.15 | A compa... |
| csound,fluid | 1316.65 | m/s | 308.15 | A compa... |
| csound,fluid | 1298.78 | m/s | 313.15 | A compa... |
| csound,fluid | 1281.08 | m/s | 318.15 | A compa... |
| csound,fluid | 1263.57 | m/s | 323.15 | A compa... |
Similar Compounds
Find more compounds similar to 2-Oxetanone, 4-methyl-.
Sources
- 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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