- InChI
- InChI=1S/C7H11NO/c1-4-7-5(2)8-6(3)9-7/h4H2,1-3H3
- InChI Key
- XOOCKFZHDAFKNK-UHFFFAOYSA-N
- Formula
- C7H11NO
- SMILES
- CCc1oc(C)nc1C
- Molecular Weight1
- 125.17
- Other Names
-
- 2,4-dimethyl-5-ethyloxazole
- Oxazole, 2,4-dimethyl-5-ethyl
- 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 | 0.4047 | Relay (1.0) Calculated Property | |
| ΔfG° | 43.89 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -170.41 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 42.61 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.62 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.84 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.854 | Crippen Calculated Property | |
| McVol | 105.880 | ml/mol | McGowan Calculated Property |
| Pc | 3392.58 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [907.00; 926.00] |
|
|
| Inp | 926.00 | NIST | |
| Inp | 923.00 | NIST | |
| Inp | 923.00 | NIST | |
| Inp | 907.00 | NIST | |
| Inp | 907.00 | NIST | |
| I | [1247.00; 1260.00] |
|
|
| I | 1252.00 | NIST | |
| I | 1260.00 | NIST | |
| I | 1252.00 | NIST | |
| I | 1252.00 | NIST | |
| I | 1247.00 | NIST | |
| I | 1248.00 | NIST | |
| Tboil | 413.90 | K | Relay (1.0) Calculated Property |
| Tc | 612.12 | K | Relay (1.0) Calculated Property |
| Tfus | 227.39 | K | Relay (1.0) Calculated Property |
| Vc | 0.412 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Oxazole, 5-ethyl-2,4-dimethyl.
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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