- InChI
- InChI=1S/C4H4O2/c5-4-2-1-3-6-4/h1,3H,2H2
- InChI Key
- RHDGNLCLDBVESU-UHFFFAOYSA-N
- Formula
- C4H4O2
- SMILES
- O=C1CC=CO1
- Molecular Weight1
- 84.07
- CAS
- 20825-71-2
- Other Names
-
- «alpha»-Crotonolactone
- «alpha»-Furanone
- «delta»,«beta»,«gamma»-Butenolide
- 3-Butenoic acid, 4-hydroxy-, «gamma»-lactone
- 2-Oxo-2,3-dihydrofuran
- «beta»,«gamma»-Crotonolactone
- 2-Furanone
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- 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 |
|---|---|---|---|
| ω | 0.3244 | Relay (1.0) Calculated Property | |
| ΔfG° | -151.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -246.90 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 7.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 43.34 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.70 | eV | NIST |
| log10WS | -0.51 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.447 | Crippen Calculated Property | |
| McVol | 59.500 | ml/mol | McGowan Calculated Property |
| Pc | 5678.82 | kPa | Joback Calculated Property |
| Inp | 914.00 | NIST | |
| I | [1726.00; 1760.00] |
|
|
| I | 1726.00 | NIST | |
| I | 1760.00 | NIST | |
| Tboil | 420.74 | K | Relay (1.0) Calculated Property |
| Tc | 625.13 | K | Relay (1.0) Calculated Property |
| Tfus | 270.31 | K | Relay (1.0) Calculated Property |
| Vc | 0.215 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [103.50; 147.27] | J/mol×K | [404.80; 630.37] |
|
| Cp,gas | 103.50 | J/mol×K | 404.80 | Joback Calculated Property |
| Cp,gas | 111.68 | J/mol×K | 442.39 | Joback Calculated Property |
| Cp,gas | 119.51 | J/mol×K | 479.99 | Joback Calculated Property |
| Cp,gas | 126.99 | J/mol×K | 517.58 | Joback Calculated Property |
| Cp,gas | 134.12 | J/mol×K | 555.18 | Joback Calculated Property |
| Cp,gas | 140.88 | J/mol×K | 592.77 | Joback Calculated Property |
| Cp,gas | 147.27 | J/mol×K | 630.37 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2(3H)-Furanone.
Sources
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