- InChI
- InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2
- InChI Key
- YEJRWHAVMIAJKC-UHFFFAOYSA-N
- Formula
- C4H6O2
- SMILES
- O=C1CCCO1
- Molecular Weight1
- 86.09
- 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).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical 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 | -354.16 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 7.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.75 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.15 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 0.323 | Crippen Calculated Property | |
| McVol | 63.800 | ml/mol | McGowan Calculated Property |
| Pc | 4862.97 | kPa | Joback Calculated Property |
| Inp | 922.00 | NIST | |
| Tboil | 477.17 | K | Relay (1.0) Calculated Property |
| Tc | 702.53 | K | Relay (1.0) Calculated Property |
| Tfus | 247.88 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate 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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [107.40; 151.82] | J/mol×K | [360.75; 552.22] | 
|
| Cp,gas | 107.40 | J/mol×K | 360.75 | Joback Calculated Property |
| Cp,gas | 116.00 | J/mol×K | 392.66 | Joback Calculated Property |
| Cp,gas | 124.10 | J/mol×K | 424.57 | Joback Calculated Property |
| Cp,gas | 131.70 | J/mol×K | 456.49 | Joback Calculated Property |
| Cp,gas | 138.85 | J/mol×K | 488.40 | Joback Calculated Property |
| Cp,gas | 145.54 | J/mol×K | 520.31 | Joback Calculated Property |
| Cp,gas | 151.82 | J/mol×K | 552.22 | Joback Calculated Property |
| η | [0.0003839; 0.0023575] | Pa×s | [199.35; 360.75] |
|
| η | 0.0023575 | Pa×s | 199.35 | Joback Calculated Property |
| η | 0.0014554 | Pa×s | 226.25 | Joback Calculated Property |
| η | 0.0009955 | Pa×s | 253.15 | Joback Calculated Property |
| η | 0.0007325 | Pa×s | 280.05 | Joback Calculated Property |
| η | 0.0005687 | Pa×s | 306.95 | Joback Calculated Property |
| η | 0.0004599 | Pa×s | 333.85 | Joback Calculated Property |
| η | 0.0003839 | Pa×s | 360.75 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Oxolan-2-one.
Sources
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