- InChI
- InChI=1S/C7H8O4/c8-3-5-1-2-7(11-5)6(10)4-9/h1-2,8-9H,3-4H2
- InChI Key
- VPEAWJMSAIFNTO-UHFFFAOYSA-N
- Formula
- C7H8O4
- SMILES
- O=C(CO)c1ccc(CO)o1
- Molecular Weight1
- 156.14
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation 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 | 0.8264 | Relay (... Calculated Property | |
| ΔfG° | -383.99 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -537.71 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 99.61 | kJ/mol | Relay (... Calculated Property |
| IE | 8.96 | eV | Relay (... Calculated Property |
| log10WS | -0.73 | Relay (... Calculated Property | |
| logPoct/wat | -0.053 | Crippen Calculated Property | |
| McVol | 109.210 | ml/mol | McGowan Calculated Property |
| Pc | 3886.75 | kPa | Relay (... Calculated Property ⚠️ |
| I | 2072.00 | NIST | |
| Tboil | 562.33 | K | Relay (... Calculated Property |
| Tc | 835.62 | K | Relay (... Calculated Property |
| Tfus | 374.93 | K | Relay (... Calculated Property |
| Vc | 0.419 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 1-(5-methyl-2-furanyl)-2-hydroxyethanone.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) ⚠️ Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- McGowan Method
- NIST Webbook
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