- InChI
- InChI=1S/C6H9NO/c1-3-6-5(2)8-4-7-6/h4H,3H2,1-2H3
- InChI Key
- CRARVVVEJLFERY-UHFFFAOYSA-N
- Formula
- C6H9NO
- SMILES
- CCc1ncoc1C
- 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 | 0.3543 | Relay (1.0) Calculated Property | |
| ΔfG° | 69.32 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -120.73 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 39.89 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.04 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.20 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.545 | Crippen Calculated Property | |
| McVol | 91.790 | ml/mol | McGowan Calculated Property |
| Pc | 4121.86 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 855.00 | NIST | |
| I | [1200.00; 1222.00] |
|
|
| I | Outlier 1222.00 | NIST | |
| I | 1200.00 | NIST | |
| I | 1200.00 | NIST | |
| I | 1201.00 | NIST | |
| I | 1201.00 | NIST | |
| I | 1200.00 | NIST | |
| Tboil | 397.26 | K | Relay (1.0) Calculated Property |
| Tc | 595.67 | K | Relay (1.0) Calculated Property |
| Tfus | 209.32 | K | Relay (1.0) Calculated Property |
| Vc | 0.348 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Oxazole, 4-ethyl-5-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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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.