- InChI
- InChI=1S/C22H19N3O2/c26-22(27-17-7-10-18-8-3-1-4-9-18)23-19-13-15-21(16-14-19)25-24-20-11-5-2-6-12-20/h1-16H,17H2,(H,23,26)/b10-7+,25-24+
- InChI Key
- KHTDQWIGWSVYNA-WVLXALBKSA-N
- Formula
- C22H19N3O2
- SMILES
-
O=C(Nc1ccc(N=Nc2ccccc2)cc1)OCC
=Cc1ccccc1 - Molecular Weight1
- 357.41
- CAS
- 95166-23-7
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- 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).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.8710 | Relay (1.0) Calculated Property | |
| ΔfG° | 362.60 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 189.37 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 134.28 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.94 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.98 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.364 | Crippen Calculated Property | |
| McVol | 278.340 | ml/mol | McGowan Calculated Property |
| Pc | 1596.17 | kPa | Joback Calculated Property |
| Tboil | 723.83 | K | Relay (1.0) Calculated Property |
| Tc | 1078.55 | K | Relay (1.0) Calculated Property |
| Tfus | 423.07 | K | Relay (1.0) Calculated Property |
| Vc | 0.976 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to P-phenyl azo carbanilic acid, cinnamyl ester.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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