- InChI
- InChI=1S/C4H4O2/c5-4-2-1-3-6-4/h1-2H,3H2
- InChI Key
- VIHAEDVKXSOUAT-UHFFFAOYSA-N
- Formula
- C4H4O2
- SMILES
- O=C1C=CCO1
- Molecular Weight1
- 84.07
- CAS
- 497-23-4
- Other Names
-
- (5H)-furan-2-one
- 2(5H)-Furanone («gamma»-crotonolactone)
- 2,5-Dihydrofuranone
- 2-Buten-4-olide
- 2-Butenoic acid, 4-hydroxy-, «gamma»-lactone
- 2-Butenoic acid-«gamma»-lactone
- 2-Butenolide
- 2-Oxo-2,5-dihydrofuran
- 4-Hydroxy-2-butenoic acid lactone
- 4-Hydroxy-2-butenoic acid «gamma»-lactone
- 5H-furan-2-one
- Butenolide
- Crotonic acid, 4-hydroxy-, «gamma»-lactone
- Crotonolactone
- Furan-2(5H)-one
- Isocrotonolactone
- NSC 197009
- «alpha»,«beta»-Crotonolactone
- «delta»,«alpha»,«beta»-Butenolide
- «gamma»-Crotolactone
- «gamma»-Crotonolactone
- «gamma»-Hydroxycrotonic acid lactone
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 8.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.60 ± 1.30 | kJ/mol | NIST |
| logPoct/wat | 0.099 | Crippen Calculated Property | |
| McVol | 59.500 | ml/mol | McGowan Calculated Property |
| Inp | [863.00; 924.00] |
|
|
| Inp | 915.60 | NIST | |
| Inp | 913.00 | NIST | |
| Inp | 918.00 | NIST | |
| Inp | 924.00 | NIST | |
| Inp | 876.00 | NIST | |
| Inp | 871.00 | NIST | |
| Inp | 863.00 | NIST | |
| Inp | 920.00 | NIST | |
| Inp | 924.00 | NIST | |
| Inp | 915.00 | NIST | |
| Inp | 915.60 | NIST | |
| I | [1692.00; 1787.00] |
|
|
| I | 1767.00 | NIST | |
| I | 1745.00 | NIST | |
| I | 1767.00 | NIST | |
| I | 1712.00 | NIST | |
| I | 1732.00 | NIST | |
| I | 1742.00 | NIST | |
| I | 1742.00 | NIST | |
| I | 1742.00 | NIST | |
| I | 1743.00 | NIST | |
| I | 1787.00 | NIST | |
| I | 1758.00 | NIST | |
| I | 1702.00 | NIST | |
| I | 1746.00 | NIST | |
| I | 1692.00 | NIST | |
| I | 1703.00 | NIST | |
| I | 1716.00 | NIST | |
| I | 1716.00 | NIST | |
| I | 1767.00 | NIST | |
| I | 1742.00 | NIST | |
| I | 1787.00 | NIST | |
| Tboil | 329.00 | K | A calorimetric and computational study on the thermochemistry of 2-(5H)-furanone and 2-(5H)-thiophenone |
Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation 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 | [96.64; 133.44] | J/mol×K | [359.91; 553.42] |
|
| Cp,gas | 96.64 | J/mol×K | 359.91 | Joback Calculated Property |
| Cp,gas | 103.90 | J/mol×K | 392.16 | Joback Calculated Property |
| Cp,gas | 110.68 | J/mol×K | 424.41 | Joback Calculated Property |
| Cp,gas | 117.00 | J/mol×K | 456.66 | Joback Calculated Property |
| Cp,gas | 122.89 | J/mol×K | 488.91 | Joback Calculated Property |
| Cp,gas | 128.36 | J/mol×K | 521.17 | Joback Calculated Property |
| Cp,gas | 133.44 | J/mol×K | 553.42 | Joback Calculated Property |
| η | [0.0003500; 0.0017022] | Pa×s | [200.11; 359.91] |
|
| η | 0.0017022 | Pa×s | 200.11 | Joback Calculated Property |
| η | 0.0011202 | Pa×s | 226.74 | Joback Calculated Property |
| η | 0.0008049 | Pa×s | 253.38 | Joback Calculated Property |
| η | 0.0006159 | Pa×s | 280.01 | Joback Calculated Property |
| η | 0.0004937 | Pa×s | 306.64 | Joback Calculated Property |
| η | 0.0004100 | Pa×s | 333.28 | Joback Calculated Property |
| η | 0.0003500 | Pa×s | 359.91 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 359.70 | K | 1.60 | NIST |
Similar Compounds
Find more compounds similar to 2(5H)-Furanone.
Sources
- 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 calorimetric and computational study on the thermochemistry of 2-(5H)-furanone and 2-(5H)-thiophenone
- Joback Method
- McGowan Method
- NIST Webbook
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