- InChI
- InChI=1S/C24H16N2O2/c1-3-7-17(8-4-1)21-15-25-23(27-21)19-11-13-20(14-12-19)24-26-16-22(28-24)18-9-5-2-6-10-18/h1-16H
- InChI Key
- MASVCBBIUQRUKL-UHFFFAOYSA-N
- Formula
- C24H16N2O2
- SMILES
-
c1ccc(-c2cnc(-c3ccc(-c4ncc(-c5
ccccc5)o4)cc3)o2)cc1 - Molecular Weight1
- 364.40
- CAS
- 1806-34-4
- Other Names
-
- POPOP
- Oxazole, 2,2'-(1,4-phenylene)bis[5-phenyl-
- p-Bis(5-phenyloxazol-2-yl)benzene
- Oxazole, 2,2'-p-phenylenebis(5-phenyl-
- 1,4-Bis(2-(5-phenyloxazolyl))benzene
- 2,2'-p-Phenylenebis(5-phenyloxazole)
- 2,2'-(1,4-Phenylene)bis(5-phenyl)oxazole
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (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.
- 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 | 0.7347 | Relay (1.0) Calculated Property | |
| ΔfG° | 434.54 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 248.93 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 151.26 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.48 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.55 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.331 | Crippen Calculated Property | |
| McVol | 270.520 | ml/mol | McGowan Calculated Property |
| Pc | 2576.79 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [3525.00; 3525.00] |
|
|
| Inp | 3525.00 | NIST | |
| Inp | 3525.00 | NIST | |
| Inp | 3525.00 | NIST | |
| Tboil | 775.69 | K | Relay (1.0) Calculated Property |
| Tc | 1124.18 | K | Relay (1.0) Calculated Property |
| Tfus | 469.90 | K | Relay (1.0) Calculated Property |
| Vc | 1.056 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔsubH | [94.40; 140.00] | kJ/mol | [480.00; 640.00] |
|
| ΔsubH | 140.00 | kJ/mol | 480.00 | NIST |
| ΔsubH | 94.40 | kJ/mol | 640.00 | NIST |
Similar Compounds
Find more compounds similar to 1,4-Bis(5-phenyloxazol-2-yl)benzene.
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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