- InChI
- InChI=1S/C10H17NO/c1-5-9-8(4)12-10(11-9)6-7(2)3/h7H,5-6H2,1-4H3
- InChI Key
- KGIIOPAYOWPZLL-UHFFFAOYSA-N
- Formula
- C10H17NO
- SMILES
- CCc1nc(CC(C)C)oc1C
- Molecular Weight1
- 167.25
- Other Names
-
- 2-iso-Butyl-4-ethyl-5-methyloxazole
- Oxazole, 4-ethyl-2-isobutyl-5-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).
- 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 | 0.4968 | Relay (1.0) Calculated Property | |
| ΔfG° | 45.83 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -238.06 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 52.48 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.47 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.08 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.744 | Crippen Calculated Property | |
| McVol | 148.150 | ml/mol | McGowan Calculated Property |
| Pc | 2406.88 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1106.00; 1106.00] |
|
|
| Inp | 1106.00 | NIST | |
| Inp | 1106.00 | NIST | |
| I | 1359.00 | NIST | |
| Tboil | 447.83 | K | Relay (1.0) Calculated Property |
| Tc | 664.38 | K | Relay (1.0) Calculated Property |
| Tfus | 213.81 | K | Relay (1.0) Calculated Property |
| Vc | 0.575 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 4-Ethyl-2-isobutyl-5-methyloxazole.
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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