- InChI
- InChI=1S/C15H11N3O2/c19-15-13(18-17-12-9-5-2-6-10-12)16-14(20-15)11-7-3-1-4-8-11/h1-10,17H/b18-13+
- InChI Key
- JGUNDRHHCZCUPV-QGOAFFKASA-N
- Formula
- C15H11N3O2
- SMILES
-
O=C1OC(c2ccccc2)=NC1=NNc1ccccc
1 - Molecular Weight1
- 265.27
- CAS
- 54506-04-6
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | 143.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.60 | kJ/mol | Joback Calculated Property |
| log10WS | -3.10 | Crippen Calculated Property | |
| logPoct/wat | 2.416 | Crippen Calculated Property | |
| McVol | 192.610 | ml/mol | McGowan Calculated Property |
| Pc | 2921.84 | kPa | Joback Calculated Property |
| Tboil | 897.85 | K | Joback Calculated Property |
| Tc | 1183.82 | K | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4,5-Oxazoledione, 2-phenyl-, 4-phenylhydrazone.
Sources
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