- InChI
- InChI=1S/C4H4O3/c5-3-1-4(6)7-2-3/h1-2H2
- InChI Key
- JCGNDDUYTRNOFT-UHFFFAOYSA-N
- Formula
- C4H4O3
- SMILES
- O=C1COC(=O)C1
- Molecular Weight1
- 100.07
- CAS
- 4971-56-6
- Other Names
-
- Butanoic acid, 4-hydroxy-3-oxo-, «gamma»-lactone
- Tetronic acid
- Tetrahydrofuran-2,4-dione
- Tetrahydrofuran-3,5-dione
- Acetoacetic acid, 4-hydroxy-, «gamma»-lactone
- «beta»-oxo-«gamma»-butyrolactone
- 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).
- Inp : Non-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 |
|---|---|---|---|
| ΔfG° | -304.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -452.47 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 5.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 38.07 | kJ/mol | Joback Calculated Property |
| log10WS | 0.47 | Crippen Calculated Property | |
| logPoct/wat | -0.498 | Crippen Calculated Property | |
| McVol | 65.370 | ml/mol | McGowan Calculated Property |
| Pc | 5670.27 | kPa | Joback Calculated Property |
| Inp | [833.00; 833.00] |
|
|
| Inp | 833.00 | NIST | |
| Inp | 833.00 | NIST | |
| Tboil | 473.46 | K | Joback Calculated Property |
| Tc | 717.29 | K | Joback Calculated Property |
| Tfus | 312.99 | K | Joback Calculated Property |
| Vc | 0.236 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [133.07; 184.46] | J/mol×K | [473.46; 717.29] |
|
| Cp,gas | 133.07 | J/mol×K | 473.46 | Joback Calculated Property |
| Cp,gas | 142.43 | J/mol×K | 514.10 | Joback Calculated Property |
| Cp,gas | 151.55 | J/mol×K | 554.74 | Joback Calculated Property |
| Cp,gas | 160.37 | J/mol×K | 595.37 | Joback Calculated Property |
| Cp,gas | 168.82 | J/mol×K | 636.01 | Joback Calculated Property |
| Cp,gas | 176.87 | J/mol×K | 676.65 | Joback Calculated Property |
| Cp,gas | 184.46 | J/mol×K | 717.29 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4(3H,5H)-Furandione.
Sources
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