- InChI
- InChI=1S/C6H6O3/c1-4-2-3-9-5(4)6(7)8/h2-3H,1H3,(H,7,8)
- InChI Key
- BNYIQEFWGSXIKQ-UHFFFAOYSA-N
- Formula
- C6H6O3
- SMILES
- Cc1ccoc1C(=O)O
- Molecular Weight1
- 126.11
- CAS
- 4412-96-8
- Other Names
-
- 2-Furancarboxylic acid, 3-methyl-
- 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).
- 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 | 0.6580 | Relay (1.0) Calculated Property | |
| ΔfG° | -315.57 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -441.34 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 69.33 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.08 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.05 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.286 | Crippen Calculated Property | |
| McVol | 89.250 | ml/mol | McGowan Calculated Property |
| Pc | 4681.86 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 513.11 | K | Relay (1.0) Calculated Property |
| Tc | 722.69 | K | Relay (1.0) Calculated Property |
| Tfus | 368.42 | K | Relay (1.0) Calculated Property |
| Vc | 0.332 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 3-Methyl-2-furoic 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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