- InChI
- InChI=1S/C16H13NO/c1-12-17-15(13-8-4-2-5-9-13)16(18-12)14-10-6-3-7-11-14/h2-11H,1H3
- InChI Key
- QLQIWRCWPJRJJA-UHFFFAOYSA-N
- Formula
- C16H13NO
- SMILES
- Cc1nc(-c2ccccc2)c(-c2ccccc2)o1
- Molecular Weight1
- 235.28
- CAS
- 14224-99-8
- Other Names
-
- 2-Methyl-4,5-diphenyloxazole
- 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).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 | 0.5065 | Relay (1.0) Calculated Property | |
| ΔfG° | 280.11 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 131.46 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 94.16 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.27 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.31 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.317 | Crippen Calculated Property | |
| McVol | 185.170 | ml/mol | McGowan Calculated Property |
| Pc | 2896.57 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 628.91 | K | Relay (1.0) Calculated Property |
| Tc | 893.27 | K | Relay (1.0) Calculated Property |
| Tfus | 315.48 | K | Relay (1.0) Calculated Property |
| Vc | 0.709 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 487.20 | K | 2.30 | NIST |
Similar Compounds
Find more compounds similar to Oxazole, 2-methyl-4,5-diphenyl-.
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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