- InChI
- InChI=1S/C15H11N3/c1-2-6-12(7-3-1)17-18-15-10-4-9-14-13(15)8-5-11-16-14/h1-11H
- InChI Key
- RQIJYXYCHYDCDC-UHFFFAOYSA-N
- Formula
- C15H11N3
- SMILES
- c1ccc(N=Nc2cccc3ncccc23)cc1
- Molecular Weight1
- 233.27
- CAS
- 25117-46-8
- Other Names
-
- Orotic acid, triTBDMS
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.6383 | Relay (1.0) Calculated Property | |
| ΔfG° | 475.14 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 503.87 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 92.26 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.32 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.14 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.650 | Crippen Calculated Property | |
| McVol | 180.870 | ml/mol | McGowan Calculated Property |
| Pc | 4281.53 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2393.00 | NIST | |
| Tboil | 658.74 | K | Relay (1.0) Calculated Property |
| Tc | 972.21 | K | Relay (1.0) Calculated Property |
| Tfus | 377.70 | K | Relay (1.0) Calculated Property |
| Vc | 0.678 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Quinoline, 5-(phenylazo)-.
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
- McGowan Method
- NIST Webbook
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