- InChI
- InChI=1S/C6H4N2/c7-5-6-1-3-8-4-2-6/h1-4H
- InChI Key
- GPHQHTOMRSGBNZ-UHFFFAOYSA-N
- Formula
- C6H4N2
- SMILES
- N#Cc1ccncc1
- Molecular Weight1
- 104.11
- CAS
- 100-48-1
- Other Names
-
- .gamma.-cyanopyridine
- 4-azabenzonitrile
- 4-cyanopyridine
- 4-pyridinenitrile
- 4-pyridyl cyanide
- isonicotinic acid nitrile
- isonicotinonitrile
- «gamma»-Cyanopyridine
- ω : Acentric Factor.
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- 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).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- 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 | 0.3743 | Relay (1.0) Calculated Property | |
| PAff | 880.60 | kJ/mol | NIST |
| BasG | 848.80 | kJ/mol | NIST |
| ΔcH°solid | -3143.00 ± 0.50 | kJ/mol | NIST |
| ΔfG° | 287.65 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 283.50 ± 1.10 | kJ/mol | NIST |
| ΔfH°solid | 210.30 ± 0.90 | kJ/mol | NIST |
| ΔsubH° | [73.20; 73.20] | kJ/mol |
|
| ΔsubH° | 73.20 ± 0.60 | kJ/mol | NIST |
| ΔsubH° | 73.20 | kJ/mol | NIST |
| ΔsubH° | 73.20 ± 0.60 | kJ/mol | NIST |
| ΔvapH° | 58.05 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [10.30; 10.70] | eV |
|
| IE | 10.40 ± 0.10 | eV | NIST |
| IE | 10.70 | eV | NIST |
| IE | 10.30 | eV | NIST |
| log10WS | -8.52e-03 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.953 | Crippen Calculated Property | |
| McVol | 83.000 | ml/mol | McGowan Calculated Property |
| Pc | 4690.78 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [955.00; 978.00] |
|
|
| Inp | 955.00 | NIST | |
| Inp | 978.00 | NIST | |
| Inp | 955.00 | NIST | |
| I | 1665.00 | NIST | |
| Tboil | 352.00 ± 1.00 | K | NIST |
| Tc | 735.11 | K | Relay (1.0) Calculated Property |
| Tfus | [352.40; 353.55] | K |
|
| Tfus | 353.55 | K | Measurement and Correlation of Solubility of Two Isomers of Cyanopyridine in Eight Pure Solvents from 268.15 K to 318.15 K |
| Tfus | 352.40 ± 1.00 | K | NIST |
| Vc | 0.298 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 4-Pyridinecarbonitrile.
Mixtures
- Ethanol + 4-Pyridinecarbonitrile
- 4-Pyridinecarbonitrile + Methyl Alcohol
- 1-Butanol + 4-Pyridinecarbonitrile
- 1-Propanol, 2-methyl- + 4-Pyridinecarbonitrile
- Ethyl Acetate + 4-Pyridinecarbonitrile
- Acetone + 4-Pyridinecarbonitrile
- 4-Pyridinecarbonitrile + Carbon Tetrachloride
- 1-Propanol + 4-Pyridinecarbonitrile
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
- Measurement and Correlation of Solubility of Two Isomers of Cyanopyridine in Eight Pure Solvents from 268.15 K to 318.15 K
- McGowan Method
- NIST Webbook
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