- InChI
- InChI=1S/C7H10O/c1-5-4-8-7(3)6(5)2/h4H,1-3H3
- InChI Key
- MNBYRCAFWIZFJM-UHFFFAOYSA-N
- Formula
- C7H10O
- SMILES
- Cc1coc(C)c1C
- Molecular Weight1
- 110.15
- 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 | 0.3471 | Relay (1.0) Calculated Property | |
| ΔfG° | 10.96 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -147.36 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 41.05 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.21 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.66 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.205 | Crippen Calculated Property | |
| McVol | 95.900 | ml/mol | McGowan Calculated Property |
| Pc | 3861.69 | kPa | Relay (1.0-beta) Calculated Property |
| I | [1076.00; 1076.00] |
|
|
| I | 1076.00 | NIST | |
| I | 1076.00 | NIST | |
| I | 1076.00 | NIST | |
| Tboil | 400.50 | K | Relay (1.0) Calculated Property |
| Tc | 614.42 | K | Relay (1.0) Calculated Property |
| Tfus | 238.35 | K | Relay (1.0) Calculated Property |
| Vc | 0.360 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2,3,4-trimethylfuran.
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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