- InChI
- InChI=1S/C6H8O3/c1-3-4(2)9-6(8)5(3)7/h5,7H,1-2H3
- InChI Key
- DFCKRIQJSYAFQG-UHFFFAOYSA-N
- Formula
- C6H8O3
- SMILES
- CC1=C(C)C(O)C(=O)O1
- Molecular Weight1
- 128.13
- 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).
- 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° | -298.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -493.78 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.26 | 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 | 4504.30 | kPa | Joback Calculated Property |
| I | [2192.00; 2192.00] |
|
|
| I | 2192.00 | NIST | |
| I | 2192.00 | NIST | |
| Tboil | 548.03 | K | Joback Calculated Property |
| Tc | 754.77 | K | Joback Calculated Property |
| Tfus | 349.69 | K | Joback Calculated Property |
| Vc | 0.345 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [221.64; 272.59] | J/mol×K | [548.03; 754.77] |
|
| Cp,gas | 221.64 | J/mol×K | 548.03 | Joback Calculated Property |
| Cp,gas | 231.11 | J/mol×K | 582.49 | Joback Calculated Property |
| Cp,gas | 240.20 | J/mol×K | 616.94 | Joback Calculated Property |
| Cp,gas | 248.92 | J/mol×K | 651.40 | Joback Calculated Property |
| Cp,gas | 257.23 | J/mol×K | 685.86 | Joback Calculated Property |
| Cp,gas | 265.12 | J/mol×K | 720.32 | Joback Calculated Property |
| Cp,gas | 272.59 | J/mol×K | 754.77 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-hydroxy-4,5-dimethyl-3(2H)-furanone.
Sources
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