- InChI
- InChI=1S/C5H8O3/c1-3-5(7)4(6)2-8-3/h3,5,7H,2H2,1H3
- InChI Key
- KTKGSSUXUIUZDA-UHFFFAOYSA-N
- Formula
- C5H8O3
- SMILES
- CC1OCC(=O)C1O
- Molecular Weight1
- 116.12
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.5015 | Relay (1.0) Calculated Property | |
| ΔfG° | -325.47 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -497.52 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.63 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.23 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.43 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.665 | Crippen Calculated Property | |
| McVol | 83.760 | ml/mol | McGowan Calculated Property |
| Pc | 4869.76 | kPa | Joback Calculated Property |
| I | [1462.00; 1462.00] |
|
|
| I | 1462.00 | NIST | |
| I | 1462.00 | NIST | |
| Tboil | 461.12 | K | Relay (1.0) Calculated Property |
| Tc | 684.53 | K | Relay (1.0) Calculated Property |
| Tfus | 387.24 | K | Relay (1.0) Calculated Property |
| Vc | 0.310 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [200.04; 256.18] | J/mol×K | [511.36; 716.88] |
|
| Cp,gas | 200.04 | J/mol×K | 511.36 | Joback Calculated Property |
| Cp,gas | 210.49 | J/mol×K | 545.61 | Joback Calculated Property |
| Cp,gas | 220.51 | J/mol×K | 579.87 | Joback Calculated Property |
| Cp,gas | 230.10 | J/mol×K | 614.12 | Joback Calculated Property |
| Cp,gas | 239.26 | J/mol×K | 648.37 | Joback Calculated Property |
| Cp,gas | 247.95 | J/mol×K | 682.62 | Joback Calculated Property |
| Cp,gas | 256.18 | J/mol×K | 716.88 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Hydroxy-5-methyl-3(2H)furanone.
Sources
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