- InChI
- InChI=1S/C21H15N3/c1-4-10-16(11-5-1)19-22-20(17-12-6-2-7-13-17)24-21(23-19)18-14-8-3-9-15-18/h1-15H
- InChI Key
- HBQUOLGAXBYZGR-UHFFFAOYSA-N
- Formula
- C21H15N3
- SMILES
-
c1ccc(-c2nc(-c3ccccc3)nc(-c3cc
ccc3)n2)cc1 - Molecular Weight1
- 309.36
- CAS
- 493-77-6
- Other Names
-
- s-Triazine, 2,4,6-triphenyl-
- Cyaphenine
- Kyaphenine
- Triphenyl-s-triazine
- 2,4,6-Triphenyl-s-triazine
- 2,4,6-Triphenyl-1,3,5-triazine
- 2,4,6-Triphenyltriazine
- S-Triphenyltriazine
- NSC 46521
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°solid : Solid phase 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 | 0.6084 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -10689.70 ± 6.30 | kJ/mol | NIST |
| ΔfG° | 582.55 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 471.79 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°solid | 282.70 ± 6.30 | kJ/mol | NIST |
| ΔvapH° | 136.26 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.60 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.06 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.873 | Crippen Calculated Property | |
| McVol | 241.650 | ml/mol | McGowan Calculated Property |
| Pc | 3326.33 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 717.91 | K | Relay (1.0) Calculated Property |
| Tc | 1071.21 | K | Relay (1.0) Calculated Property |
| Tfus | 471.73 | K | Relay (1.0) Calculated Property |
| Vc | 0.915 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 1,3,5-Triazine, 2,4,6-triphenyl-.
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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