- InChI
- InChI=1S/C9H15NO/c1-6(2)5-9-10-7(3)8(4)11-9/h6H,5H2,1-4H3
- InChI Key
- SNRVAFQIIFPYDR-UHFFFAOYSA-N
- Formula
- C9H15NO
- SMILES
- Cc1nc(CC(C)C)oc1C
- Molecular Weight1
- 153.22
- CAS
- 26131-91-9
- Other Names
-
- Oxazole, 4,5-dimethyl-2-(2-methylpropyl)-
- 2-iso-Butyl-4,5-dimethyloxazole
- 2-Isobutyl-4,5-dimethyl-1,3-oxazole
- Oxazole, 4,5-dimethyl-2-isobutyl
- 4,5-Dimethyl-2-(2-methylpropyl)-1,3-oxazole
- 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 | 0.4577 | Relay (1.0) Calculated Property | |
| ΔfG° | 46.82 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -214.64 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 49.59 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.57 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.58 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.490 | Crippen Calculated Property | |
| McVol | 134.060 | ml/mol | McGowan Calculated Property |
| Pc | 2670.35 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 1044.00 | NIST | |
| I | [1330.00; 1330.00] |
|
|
| I | 1330.00 | NIST | |
| I | 1330.00 | NIST | |
| Tboil | 434.19 | K | Relay (1.0) Calculated Property |
| Tc | 655.95 | K | Relay (1.0) Calculated Property |
| Tfus | 212.11 | K | Relay (1.0) Calculated Property |
| Vc | 0.522 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 4,5-Dimethyl-2-isobutyloxazole.
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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