- InChI
- InChI=1S/C22H29N3O2/c1-2-3-4-5-6-7-11-18-27-22(26)23-19-14-16-21(17-15-19)25-24-20-12-9-8-10-13-20/h8-10,12-17H,2-7,11,18H2,1H3,(H,23,26)/b25-24+
- InChI Key
- CAMRBOHFBOHIER-OCOZRVBESA-N
- Formula
- C22H29N3O2
- SMILES
-
CCCCCCCCCOC(=O)Nc1ccc(N=Nc2ccc
cc2)cc1 - Molecular Weight1
- 367.48
- CAS
- 95138-66-2
- 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 | 1.1010 | Relay (1.0) Calculated Property | |
| ΔfG° | 222.84 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -163.35 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 124.58 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.01 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.70 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.401 | Crippen Calculated Property | |
| McVol | 306.400 | ml/mol | McGowan Calculated Property |
| Pc | 1200.62 | kPa | Joback Calculated Property |
| Tboil | 701.82 | K | Relay (1.0) Calculated Property |
| Tc | 979.81 | K | Relay (1.0) Calculated Property |
| Tfus | 374.20 | K | Relay (1.0) Calculated Property |
| Vc | 1.120 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to P-phenylazo carbanilic acid, n-nonyl 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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