- InChI
- InChI=1S/C13H10N6/c14-13-17-11(9-5-1-3-7-15-9)12(18-19-13)10-6-2-4-8-16-10/h1-8H,(H2,14,17,19)
- InChI Key
- KRVCKHNYNKZLBH-UHFFFAOYSA-N
- Formula
- C13H10N6
- SMILES
-
Nc1nnc(-c2ccccn2)c(-c2ccccn2)n
1 - Molecular Weight1
- 250.26
- CAS
- 116557-76-7
- 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 | 0.6807 | Relay (1.0) Calculated Property | |
| ΔfG° | 577.21 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 534.02 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 125.19 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.50 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.82 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.578 | Crippen Calculated Property | |
| McVol | 182.630 | ml/mol | McGowan Calculated Property |
| Pc | 4605.21 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 679.71 | K | Relay (1.0) Calculated Property |
| Tc | 1040.26 | K | Relay (1.0) Calculated Property |
| Tfus | 457.13 | K | Relay (1.0) Calculated Property |
| Vc | 0.696 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to As-triazine, 3-amino-5,6-di-2-pyridyl-.
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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