- InChI
- InChI=1S/C15H11N3/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13/h1-11H
- InChI Key
- DRGAZIDRYFYHIJ-UHFFFAOYSA-N
- Formula
- C15H11N3
- SMILES
- c1ccc(-c2cccc(-c3ccccn3)n2)nc1
- Molecular Weight1
- 233.27
- Other Names
-
- «alpha»,«alpha»',«alpha»"-Terpyridine
- 2,2':6',2''-Terpyridine
- «alpha»,«alpha»',«alpha»''-Tripyridyl
- Ba 2799
- Tripyridine
- 2,2',2''-Terpyridine
- 2,2',2''-Terpyridyl
- 2,2',2''-Tripyridine
- 2,2',2''-Tripyridyl
- 2,6-Bis(2-pyridyl)pyridine
- NSC 36755
- NSC 3905
- 2,2':6',2"-Terpyridine
- 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).
- ΔsubH° : Enthalpy of sublimation 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 | 0.5167 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -7772.30 ± 3.30 | kJ/mol | NIST |
| ΔfG° | 428.38 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 394.60 ± 4.60 | kJ/mol | NIST |
| ΔfH°solid | 297.50 ± 3.50 | kJ/mol | NIST |
| ΔsubH° | [97.10; 97.10] | kJ/mol |
|
| ΔsubH° | 97.10 ± 1.10 | kJ/mol | NIST |
| ΔsubH° | 97.10 | kJ/mol | NIST |
| ΔvapH° | 106.84 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.50 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.06 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.206 | Crippen Calculated Property | |
| McVol | 180.870 | ml/mol | McGowan Calculated Property |
| Pc | 4166.95 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 657.86 | K | Relay (1.0) Calculated Property |
| Tc | 953.31 | K | Relay (1.0) Calculated Property |
| Tfus | 398.90 | K | Relay (1.0) Calculated Property |
| Vc | 0.689 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2,2':6',2''-TERPYRIDINE.
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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