- InChI
- InChI=1S/C17H19N3O2/c1-2-3-13-22-17(21)18-14-9-11-16(12-10-14)20-19-15-7-5-4-6-8-15/h4-12H,2-3,13H2,1H3,(H,18,21)/b20-19+
- InChI Key
- LQKYSTYAPQKETJ-FMQUCBEESA-N
- Formula
- C17H19N3O2
- SMILES
-
CCCCOC(=O)Nc1ccc(N=Nc2ccccc2)c
c1 - Molecular Weight1
- 297.35
- CAS
- 2678-88-8
- 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 | -76.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.91 | kJ/mol | Joback Calculated Property |
| log10WS | -5.04 | Crippen Calculated Property | |
| logPoct/wat | 5.451 | Crippen Calculated Property | |
| McVol | 235.950 | ml/mol | McGowan Calculated Property |
| Pc | 1727.46 | kPa | Joback Calculated Property |
| Tboil | 922.36 | K | Joback Calculated Property |
| Tc | 1165.62 | K | Joback Calculated Property |
Similar Compounds
Find more compounds similar to P-phenylazo carbanilic acid, n-butyl ester.
Sources
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