- InChI
- InChI=1S/C16H17N3O2/c1-2-12-21-16(20)17-13-8-10-15(11-9-13)19-18-14-6-4-3-5-7-14/h3-11H,2,12H2,1H3,(H,17,20)/b19-18+
- InChI Key
- BXCWCIFEVVUAPJ-VHEBQXMUSA-N
- Formula
- C16H17N3O2
- SMILES
-
CCCOC(=O)Nc1ccc(N=Nc2ccccc2)cc
1 - Molecular Weight1
- 283.33
- CAS
- 93311-68-3
- 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 | -56.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.69 | kJ/mol | Joback Calculated Property |
| log10WS | -4.62 | Crippen Calculated Property | |
| logPoct/wat | 5.060 | Crippen Calculated Property | |
| McVol | 221.860 | ml/mol | McGowan Calculated Property |
| Pc | 1874.03 | kPa | Joback Calculated Property |
| Tboil | 899.48 | K | Joback Calculated Property |
| Tc | 1145.97 | K | Joback Calculated Property |
Similar Compounds
Find more compounds similar to P-phenylazo carbanilic acid, n-propyl ester.
Sources
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