- InChI
- InChI=1S/C6H8O3/c1-4(7)5-2-3-6(8)9-5/h2,4,7H,3H2,1H3
- InChI Key
- SJEIEJGZIWPGFN-UHFFFAOYSA-N
- Formula
- C6H8O3
- SMILES
- CC(O)C1=CCC(=O)O1
- Molecular Weight1
- 128.13
- Other Names
-
- Dihydro-5-(1-hydroxyethyl)-2(3H)-furanone
- 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).
- 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° | -283.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -467.25 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 13.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.52 | kJ/mol | Joback Calculated Property |
| log10WS | -0.82 | Crippen Calculated Property | |
| logPoct/wat | 0.198 | Crippen Calculated Property | |
| McVol | 93.550 | ml/mol | McGowan Calculated Property |
| Pc | 4862.97 | kPa | Joback Calculated Property |
| I | [2343.00; 2378.00] |
|
|
| I | 2378.00 | NIST | |
| I | 2343.00 | NIST | |
| I | 2345.00 | NIST | |
| I | 2343.00 | NIST | |
| I | 2378.00 | NIST | |
| Tboil | 547.28 | K | Joback Calculated Property |
| Tc | 757.55 | K | Joback Calculated Property |
| Tfus | 326.41 | K | Joback Calculated Property |
| Vc | 0.341 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [220.78; 271.62] | J/mol×K | [547.28; 757.55] |
|
| Cp,gas | 220.78 | J/mol×K | 547.28 | Joback Calculated Property |
| Cp,gas | 230.43 | J/mol×K | 582.32 | Joback Calculated Property |
| Cp,gas | 239.61 | J/mol×K | 617.37 | Joback Calculated Property |
| Cp,gas | 248.32 | J/mol×K | 652.41 | Joback Calculated Property |
| Cp,gas | 256.56 | J/mol×K | 687.46 | Joback Calculated Property |
| Cp,gas | 264.33 | J/mol×K | 722.50 | Joback Calculated Property |
| Cp,gas | 271.62 | J/mol×K | 757.55 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-(1-Hydroxyethyl)-2(3H)-furanone, solerol isomer.
Sources
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