- InChI
- InChI=1S/C20H18N4/c1-5-15-7-3-11-23-19(15)17(9-1)21-13-14-22-18-10-2-6-16-8-4-12-24-20(16)18/h1-12,21-22H,13-14H2
- InChI Key
- XJCUTXHPPQVIBV-UHFFFAOYSA-N
- Formula
- C20H18N4
- SMILES
-
c1cnc2c(NCCNc3cccc4cccnc34)ccc
c2c1 - Molecular Weight1
- 314.38
- CAS
- 67201-67-6
- 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 | 0.7792 | Relay (1.0) Calculated Property | |
| ΔfG° | 566.16 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 392.06 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 144.16 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.82 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.49 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.307 | Crippen Calculated Property | |
| McVol | 246.140 | ml/mol | McGowan Calculated Property |
| Pc | 3909.23 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 762.78 | K | Relay (1.0) Calculated Property |
| Tc | 1152.20 | K | Relay (1.0) Calculated Property |
| Tfus | 429.59 | K | Relay (1.0) Calculated Property |
| Vc | 0.889 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Quinoline, 8,8'-(ethylenediimino)di-.
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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