- InChI
- InChI=1S/C6H8O3/c1-4(7)5-2-3-6(8)9-5/h5H,2-3H2,1H3
- InChI Key
- AHLDCEZSQNGEFT-UHFFFAOYSA-N
- Formula
- C6H8O3
- SMILES
- CC(=O)C1CCC(=O)O1
- Molecular Weight1
- 128.13
- CAS
- 29393-32-6
- Other Names
-
- 5-Acetyldihydro-2(3H)-furanone
- 4-Hydroxy-5-ketohexanoic acid lactone
- Solerone
- Hexanoic acid, 4-hydroxy-5-oxo-, lactone
- 5-acetyldihydrofuran-2(3H)-one
- 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.
- 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 |
|---|---|---|---|
| ΔfG° | -301.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -488.97 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.71 | kJ/mol | Joback Calculated Property |
| log10WS | -0.48 | Crippen Calculated Property | |
| logPoct/wat | 0.281 | Crippen Calculated Property | |
| McVol | 93.550 | ml/mol | McGowan Calculated Property |
| Pc | 4299.92 | kPa | Joback Calculated Property |
| Inp | [1299.00; 1300.00] |
|
|
| Inp | 1300.00 | NIST | |
| Inp | 1299.00 | NIST | |
| Inp | 1300.00 | NIST | |
| I | [2013.00; 2098.00] |
|
|
| I | 2098.00 | NIST | |
| I | 2096.00 | NIST | |
| I | 2013.00 | NIST | |
| I | 2026.00 | NIST | |
| I | 2026.00 | NIST | |
| I | 2013.00 | NIST | |
| Tboil | 500.60 | K | Joback Calculated Property |
| Tc | 728.46 | K | Joback Calculated Property |
| Tfus | 313.00 | K | Joback Calculated Property |
| Vc | 0.346 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [209.14; 273.42] | J/mol×K | [500.60; 728.46] |
|
| Cp,gas | 209.14 | J/mol×K | 500.60 | Joback Calculated Property |
| Cp,gas | 221.35 | J/mol×K | 538.58 | Joback Calculated Property |
| Cp,gas | 232.98 | J/mol×K | 576.55 | Joback Calculated Property |
| Cp,gas | 244.01 | J/mol×K | 614.53 | Joback Calculated Property |
| Cp,gas | 254.44 | J/mol×K | 652.50 | Joback Calculated Property |
| Cp,gas | 264.24 | J/mol×K | 690.48 | Joback Calculated Property |
| Cp,gas | 273.42 | J/mol×K | 728.46 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2(3H)-Furanone, 5-acetyldihydro-.
Sources
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