- InChI
- InChI=1S/C6H6O3/c1-4-5(6(7)8)2-3-9-4/h2-3H,1H3,(H,7,8)
- InChI Key
- CFGQZVOVFIZRMN-UHFFFAOYSA-N
- Formula
- C6H6O3
- SMILES
- Cc1occc1C(=O)O
- Molecular Weight1
- 126.11
- 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 | 0.6549 | Relay (1.0) Calculated Property | |
| ΔfG° | -321.80 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -462.15 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 76.00 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.06 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.17 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.286 | Crippen Calculated Property | |
| McVol | 89.250 | ml/mol | McGowan Calculated Property |
| Pc | 4655.92 | kPa | Relay (1.0-beta) Calculated Property |
| I | 1655.00 | NIST | |
| Tboil | 502.94 | K | Relay (1.0) Calculated Property |
| Tc | 726.52 | K | Relay (1.0) Calculated Property |
| Tfus | 377.71 | K | Relay (1.0) Calculated Property |
| Vc | 0.329 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2-Methyl-3-furancarboxylic acid.
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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