- InChI
- InChI=1S/C15H15N3O2/c1-2-20-15(19)16-12-8-10-14(11-9-12)18-17-13-6-4-3-5-7-13/h3-11H,2H2,1H3,(H,16,19)/b18-17+
- InChI Key
- MEKVKTVRSAZYFR-ISLYRVAYSA-N
- Formula
- C15H15N3O2
- SMILES
- CCOC(=O)Nc1ccc(N=Nc2ccccc2)cc1
- Molecular Weight1
- 269.30
- CAS
- 6275-71-4
- 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 | 0.7930 | Relay (1.0) Calculated Property | |
| ΔfG° | 172.91 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -14.18 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 105.06 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.07 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.49 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.670 | Crippen Calculated Property | |
| McVol | 207.770 | ml/mol | McGowan Calculated Property |
| Pc | 2040.07 | kPa | Joback Calculated Property |
| Tboil | 654.37 | K | Relay (1.0) Calculated Property |
| Tc | 931.24 | K | Relay (1.0) Calculated Property |
| Tfus | 395.35 | K | Relay (1.0) Calculated Property |
| Vc | 0.749 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to P-phenylazo carbanilic acid, ethyl 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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