- InChI
- InChI=1S/C21H27N3O2/c1-2-3-4-5-6-10-17-26-21(25)22-18-13-15-20(16-14-18)24-23-19-11-8-7-9-12-19/h7-9,11-16H,2-6,10,17H2,1H3,(H,22,25)/b24-23+
- InChI Key
- UWMHYIKTIXVNSX-WCWDXBQESA-N
- Formula
- C21H27N3O2
- SMILES
-
CCCCCCCCOC(=O)Nc1ccc(N=Nc2cccc
c2)cc1 - Molecular Weight1
- 353.46
- CAS
- 95291-05-7
- 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 | -159.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.82 | kJ/mol | Joback Calculated Property |
| log10WS | -6.71 | Crippen Calculated Property | |
| logPoct/wat | 7.011 | Crippen Calculated Property | |
| McVol | 292.310 | ml/mol | McGowan Calculated Property |
| Pc | 1284.67 | kPa | Joback Calculated Property |
| Tboil | 1013.88 | K | Joback Calculated Property |
| Tc | 1252.12 | K | Joback Calculated Property |
Similar Compounds
Find more compounds similar to P-phenylazo carbanilic acid, n-octyl ester.
Sources
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