- InChI
- InChI=1S/C5H3N3/c6-3-5-4-7-1-2-8-5/h1-2,4H
- InChI Key
- PMSVVUSIPKHUMT-UHFFFAOYSA-N
- Formula
- C5H3N3
- SMILES
- N#Cc1cnccn1
- Molecular Weight1
- 105.10
- CAS
- 19847-12-2
- Other Names
-
- 2-Cyanopyrazine
- 2-Pyrazinecarbonitrile
- Pyrazine-2-carbonitrile
- Pyrazinecarbonitrile-
- Pyrazinenitrile
- Pyrazinonitrile
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- n0 : Refractive Index.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | 359.33 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 58.70 ± 1.20 | kJ/mol | NIST |
| IE | 10.07 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 0.348 | Crippen Calculated Property | |
| McVol | 78.890 | ml/mol | McGowan Calculated Property |
| Tboil | 476.84 | K | Relay (1.0) Calculated Property |
| Tfus | 356.64 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| n0 | [1.53400; 1.53400] | [293.15; 293.15] | 
|
|
| n0 | 1.53400 | 293.15 | Activity coefficients in binary mixtures formed by cyclohexanone with a variety of compounds at 94.7 kPa | |
| n0 | 1.53400 | 293.15 | (Vapor + liquid) equilibrium of binary mixtures formed by N,N-dimethyl formamide with some compounds at 95.1 kPa |
Similar Compounds
Find more compounds similar to Cyanopyrazine.
Mixtures
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
- Activity coefficients in binary mixtures formed by cyclohexanone with a variety of compounds at 94.7 kPa
- (Vapor + liquid) equilibrium of binary mixtures formed by N,N-dimethyl formamide with some compounds at 95.1 kPa
- Experimental thermochemical study of three monosubstituted pyrazines
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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