- InChI
- InChI=1S/C6H9NO/c1-3-6-7-5(2)4-8-6/h4H,3H2,1-2H3
- InChI Key
- SRXOCFLMVTXDRQ-UHFFFAOYSA-N
- Formula
- C6H9NO
- SMILES
- CCc1nc(C)co1
- Molecular Weight1
- 111.14
- 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 | 0.3736 | Relay (... Calculated Property | |
| ΔfG° | 59.40 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -115.65 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 38.35 | kJ/mol | Relay (... Calculated Property |
| IE | 8.83 | eV | Relay (... Calculated Property |
| log10WS | -0.10 | Relay (... Calculated Property | |
| logPoct/wat | 1.545 | Crippen Calculated Property | |
| McVol | 91.790 | ml/mol | McGowan Calculated Property |
| Pc | 3973.52 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [818.00; 818.00] |
|
|
| Inp | 818.00 | NIST | |
| Inp | 818.00 | NIST | |
| I | [1159.00; 1196.00] |
|
|
| I | 1159.00 | NIST | |
| I | 1159.00 | NIST | |
| I | 1161.00 | NIST | |
| I | 1193.00 | NIST | |
| I | 1194.00 | NIST | |
| I | 1194.00 | NIST | |
| I | 1196.00 | NIST | |
| I | 1193.00 | NIST | |
| Tboil | 396.08 | K | Relay (... Calculated Property |
| Tc | 596.74 | K | Relay (... Calculated Property |
| Tfus | 206.16 | K | Relay (... Calculated Property |
| Vc | 0.360 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Oxazole, 2-ethyl-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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