- InChI
- InChI=1S/C16H13NO2/c1-18-14-9-5-8-13(10-14)16-17-11-15(19-16)12-6-3-2-4-7-12/h2-11H,1H3
- InChI Key
- NWCFKCRZJQLJDJ-UHFFFAOYSA-N
- Formula
- C16H13NO2
- SMILES
-
COc1cccc(-c2ncc(-c3ccccc3)o2)c
1 - Molecular Weight1
- 251.28
- CAS
- 38705-20-3
- Other Names
-
- 2-(3-methoxyphenyl)-5-phenyloxazole
- 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).
- 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 | 0.6009 | Relay (1.0) Calculated Property | |
| ΔfG° | 185.38 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 24.31 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 101.58 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.22 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.14 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.017 | Crippen Calculated Property | |
| McVol | 191.040 | ml/mol | McGowan Calculated Property |
| Pc | 2995.47 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 662.32 | K | Relay (1.0) Calculated Property |
| Tc | 921.86 | K | Relay (1.0) Calculated Property |
| Tfus | 314.23 | K | Relay (1.0) Calculated Property |
| Vc | 0.731 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Oxazole, 2-(3-methoxyphenyl)-5-phenyl-.
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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