- InChI
- InChI=1S/C7H10O/c1-5-4-6(2)8-7(5)3/h4H,1-3H3
- InChI Key
- NJXZFRUNHWKHEC-UHFFFAOYSA-N
- Formula
- C7H10O
- SMILES
- Cc1cc(C)c(C)o1
- Molecular Weight1
- 110.15
- CAS
- 10504-04-8
- Other Names
-
- 2,3,5-Trimethylfuran
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.3641 | Relay (... Calculated Property | |
| ΔfG° | -11.78 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -177.33 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 40.40 | kJ/mol | Relay (... Calculated Property |
| IE | 8.11 | eV | Relay (... Calculated Property |
| log10WS | -1.12 | Relay (... Calculated Property | |
| logPoct/wat | 2.205 | Crippen Calculated Property | |
| McVol | 95.900 | ml/mol | McGowan Calculated Property |
| Pc | 3849.77 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [803.00; 817.00] |
|
|
| Inp | 817.00 | NIST | |
| Inp | 803.00 | NIST | |
| Inp | 815.00 | NIST | |
| Inp | 809.00 | NIST | |
| I | [1036.00; 1065.00] |
|
|
| I | 1056.00 | NIST | |
| I | 1036.00 | NIST | |
| I | 1051.00 | NIST | |
| I | 1036.00 | NIST | |
| I | 1037.00 | NIST | |
| I | 1037.00 | NIST | |
| I | 1038.00 | NIST | |
| I | 1038.00 | NIST | |
| I | 1065.00 | NIST | |
| I | 1056.00 | NIST | |
| I | 1056.00 | NIST | |
| Tboil | 394.65 ± 1.00 | K | NIST |
| Tc | 594.31 | K | Relay (... Calculated Property |
| Tfus | 213.26 | K | Relay (... Calculated Property |
| Vc | 0.367 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Furan, 2,3,5-trimethyl-.
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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