- InChI
- InChI=1S/C12H6N4/c13-6-10-11(7-14)16-12(8-15-10)9-4-2-1-3-5-9/h1-5,8H
- InChI Key
- KSVMJUBGOLBDJX-UHFFFAOYSA-N
- Formula
- C12H6N4
- SMILES
- N#Cc1ncc(-c2ccccc2)nc1C#N
- Molecular Weight1
- 206.20
- CAS
- 52109-66-7
- Other Names
-
- 2,3-Pyrazinedicarbonitrile,5-phenyl-
- 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 | 0.5614 | Relay (1.0) Calculated Property | |
| ΔfG° | 513.87 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 602.76 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 87.62 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.68 | eV | NIST |
| log10WS | -3.22 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.887 | Crippen Calculated Property | |
| McVol | 155.140 | ml/mol | McGowan Calculated Property |
| Pc | 3568.38 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 613.03 | K | Relay (1.0) Calculated Property |
| Tc | 924.56 | K | Relay (1.0) Calculated Property |
| Tfus | 434.65 | K | Relay (1.0) Calculated Property |
| Vc | 0.579 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 2,3-Dicyano-5-phenylpyrazine.
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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