- InChI
- InChI=1S/C14H13N3O2/c1-19-14(18)15-11-7-9-13(10-8-11)17-16-12-5-3-2-4-6-12/h2-10H,1H3,(H,15,18)/b17-16+
- InChI Key
- ZGTUJVDJHBBQIQ-WUKNDPDISA-N
- Formula
- C14H13N3O2
- SMILES
- COC(=O)Nc1ccc(N=Nc2ccccc2)cc1
- Molecular Weight1
- 255.27
- CAS
- 92166-43-3
- 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 | -14.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.23 | kJ/mol | Joback Calculated Property |
| log10WS | -3.78 | Crippen Calculated Property | |
| logPoct/wat | 4.280 | Crippen Calculated Property | |
| McVol | 193.680 | ml/mol | McGowan Calculated Property |
| Pc | 2229.20 | kPa | Joback Calculated Property |
| Tboil | 853.72 | K | Joback Calculated Property |
| Tc | 1108.76 | K | Joback Calculated Property |
Similar Compounds
Find more compounds similar to P-phenylazo carbanilic acid, methyl ester.
Sources
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