- InChI
- InChI=1S/C7H10O3/c1-3-5-4(2)6(8)7(9)10-5/h6,8H,3H2,1-2H3
- InChI Key
- ZZWOFATXVNKRIR-UHFFFAOYSA-N
- Formula
- C7H10O3
- SMILES
- CCC1=C(C)C(O)C(=O)O1
- Molecular Weight1
- 142.15
- 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° | -290.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -514.42 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.48 | kJ/mol | Joback Calculated Property |
| log10WS | -1.23 | Crippen Calculated Property | |
| logPoct/wat | 0.588 | Crippen Calculated Property | |
| McVol | 107.640 | ml/mol | McGowan Calculated Property |
| Pc | 3975.52 | kPa | Joback Calculated Property |
| I | [2277.00; 2277.00] |
|
|
| I | 2277.00 | NIST | |
| I | 2277.00 | NIST | |
| Tboil | 570.91 | K | Joback Calculated Property |
| Tc | 774.52 | K | Joback Calculated Property |
| Tfus | 360.96 | K | Joback Calculated Property |
| Vc | 0.402 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [265.78; 322.24] | J/mol×K | [570.91; 774.52] |
|
| Cp,gas | 265.78 | J/mol×K | 570.91 | Joback Calculated Property |
| Cp,gas | 276.34 | J/mol×K | 604.85 | Joback Calculated Property |
| Cp,gas | 286.45 | J/mol×K | 638.78 | Joback Calculated Property |
| Cp,gas | 296.11 | J/mol×K | 672.72 | Joback Calculated Property |
| Cp,gas | 305.30 | J/mol×K | 706.65 | Joback Calculated Property |
| Cp,gas | 314.01 | J/mol×K | 740.59 | Joback Calculated Property |
| Cp,gas | 322.24 | J/mol×K | 774.52 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-hydroxy-5-ethyl-4-methyl-3(2H)-furanone.
Sources
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