- InChI
- InChI=1S/C6H8O2/c1-2-5-3-4-6(7)8-5/h3-5H,2H2,1H3
- InChI Key
- GOUILHYTHSOMQJ-UHFFFAOYSA-N
- Formula
- C6H8O2
- SMILES
- CCC1C=CC(=O)O1
- Molecular Weight1
- 112.13
- CAS
- 2407-43-4
- Other Names
-
- 2-Hexen-4-olide
- 4-Hydroxy-2-hexenoic acid lactone
- 5-Ethyl-2(5H)-furanone
- 4-Hydroxyhex-2-enoic acid lactone
- 5-Ethyl-(5H)-furan-2-one
- 5-Ethyldihydro-2(5H)-furanone
- 5-ethylfuran-2(5H)-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° | -142.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -318.61 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 13.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 38.26 | kJ/mol | Joback Calculated Property |
| log10WS | -1.06 | Crippen Calculated Property | |
| logPoct/wat | 0.878 | Crippen Calculated Property | |
| McVol | 87.680 | ml/mol | McGowan Calculated Property |
| Pc | 4151.61 | kPa | Joback Calculated Property |
| Inp | [963.00; 984.00] |
|
|
| Inp | 984.00 | NIST | |
| Inp | 963.00 | NIST | |
| Inp | 968.00 | NIST | |
| Inp | 963.00 | NIST | |
| I | [1700.00; 1760.00] |
|
|
| I | 1716.00 | NIST | |
| I | 1734.00 | NIST | |
| I | 1754.00 | NIST | |
| I | Outlier 1700.00 | NIST | |
| I | 1725.00 | NIST | |
| I | 1755.00 | NIST | |
| I | 1742.00 | NIST | |
| I | 1745.00 | NIST | |
| I | 1760.00 | NIST | |
| I | 1750.00 | NIST | |
| I | 1757.00 | NIST | |
| I | 1745.00 | NIST | |
| Tboil | 445.89 | K | Joback Calculated Property |
| Tc | 665.16 | K | Joback Calculated Property |
| Tfus | 263.83 | K | Joback Calculated Property |
| Vc | 0.327 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [178.45; 240.82] | J/mol×K | [445.89; 665.16] |
|
| Cp,gas | 178.45 | J/mol×K | 445.89 | Joback Calculated Property |
| Cp,gas | 190.10 | J/mol×K | 482.44 | Joback Calculated Property |
| Cp,gas | 201.25 | J/mol×K | 518.98 | Joback Calculated Property |
| Cp,gas | 211.91 | J/mol×K | 555.53 | Joback Calculated Property |
| Cp,gas | 222.06 | J/mol×K | 592.07 | Joback Calculated Property |
| Cp,gas | 231.70 | J/mol×K | 628.62 | Joback Calculated Property |
| Cp,gas | 240.82 | J/mol×K | 665.16 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2(5H)-Furanone, 5-ethyl-.
Sources
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.