- InChI
- InChI=1S/C9H14O/c1-7-5-8(10-6-7)9(2,3)4/h5-6H,1-4H3
- InChI Key
- DDXRLYGFNYHBOK-UHFFFAOYSA-N
- Formula
- C9H14O
- SMILES
- Cc1coc(C(C)(C)C)c1
- Molecular Weight1
- 138.21
- CAS
- 6141-68-0
- Other Names
-
- Furan, 2-tert-butyl-4-methyl-
- 2-tert-Butyl-4-methylfuran
- 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.
- 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 | 0.3682 | Relay (1.0) Calculated Property | |
| ΔfG° | 16.57 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -179.52 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 42.23 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.46 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.78 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.886 | Crippen Calculated Property | |
| McVol | 124.080 | ml/mol | McGowan Calculated Property |
| Pc | 2780.79 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [915.00; 915.00] |
|
|
| Inp | 915.00 | NIST | |
| Inp | 915.00 | NIST | |
| Tboil | 419.65 ± 1.00 | K | NIST |
| Tc | 620.60 | K | Relay (1.0) Calculated Property |
| Tfus | 248.68 | K | Relay (1.0) Calculated Property |
| Vc | 0.471 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
![Ethanone, 1-[3-[2-methyl-2-(5-methyl-2-furanyl)propyl]oxiranyl]-.](data:image/png;base64,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)
Find more compounds similar to Furan, 2-(1,1-dimethylethyl)-4-methyl-.
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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