- InChI
- InChI=1S/C6H8O2/c1-4-5(2)8-3-6(4)7/h3H2,1-2H3
- InChI Key
- ZKDVDJRTCAKLQZ-UHFFFAOYSA-N
- Formula
- C6H8O2
- SMILES
- CC1=C(C)C(=O)CO1
- Molecular Weight1
- 112.13
- 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° | -154.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -321.21 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 39.89 | kJ/mol | Joback Calculated Property |
| log10WS | -0.94 | Crippen Calculated Property | |
| logPoct/wat | 0.880 | Crippen Calculated Property | |
| McVol | 87.680 | ml/mol | McGowan Calculated Property |
| Pc | 4167.71 | kPa | Joback Calculated Property |
| Inp | 1020.00 | NIST | |
| Tboil | 460.52 | K | Joback Calculated Property |
| Tc | 682.96 | K | Joback Calculated Property |
| Tfus | 293.11 | K | Joback Calculated Property |
| Vc | 0.328 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [177.82; 234.39] | J/mol×K | [460.52; 682.96] | 
|
| Cp,gas | 177.82 | J/mol×K | 460.52 | Joback Calculated Property |
| Cp,gas | 188.25 | J/mol×K | 497.59 | Joback Calculated Property |
| Cp,gas | 198.29 | J/mol×K | 534.67 | Joback Calculated Property |
| Cp,gas | 207.94 | J/mol×K | 571.74 | Joback Calculated Property |
| Cp,gas | 217.18 | J/mol×K | 608.81 | Joback Calculated Property |
| Cp,gas | 226.00 | J/mol×K | 645.89 | Joback Calculated Property |
| Cp,gas | 234.39 | J/mol×K | 682.96 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-methyl-4-hydroxy-3(2H)-furanone.
Sources
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