- InChI
- InChI=1S/C6H4N2/c7-5-6-3-1-2-4-8-6/h1-4H
- InChI Key
- FFNVQNRYTPFDDP-UHFFFAOYSA-N
- Formula
- C6H4N2
- SMILES
- N#Cc1ccccn1
- Molecular Weight1
- 104.11
- CAS
- 100-70-9
- Other Names
-
- Picolinonitrile
- Picolinic acid nitrile
- 2-Cyanopyridine
- 2-Pyridyl nitrile
- Pyridine-2-carbonitrile
- 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.
- 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 | 0.3670 | Relay (... Calculated Property | |
| PAff | 872.90 | kJ/mol | NIST |
| BasG | 841.00 | kJ/mol | NIST |
| ΔcH°solid | -3142.70 ± 0.50 | kJ/mol | NIST |
| ΔfG° | 298.77 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | 280.70 ± 1.50 | kJ/mol | NIST |
| ΔfH°solid | 210.00 ± 0.90 | kJ/mol | NIST |
| ΔsubH° | [70.70; 70.70] | kJ/mol |
|
| ΔsubH° | 70.70 ± 1.20 | kJ/mol | NIST |
| ΔsubH° | 70.70 | kJ/mol | NIST |
| ΔsubH° | 70.70 ± 1.20 | kJ/mol | NIST |
| ΔvapH° | 53.07 | kJ/mol | Relay (... Calculated Property |
| IE | [10.12; 10.50] | eV |
|
| IE | 10.50 ± 0.10 | eV | NIST |
| IE | 10.33 ± 0.05 | eV | NIST |
| IE | 10.33 | eV | NIST |
| IE | 10.12 | eV | NIST |
| log10WS | 0.10 | Relay (... Calculated Property | |
| logPoct/wat | 0.953 | Crippen Calculated Property | |
| McVol | 83.000 | ml/mol | McGowan Calculated Property |
| Pc | 4798.53 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [1069.00; 1079.00] |
|
|
| Inp | 1079.00 | NIST | |
| Inp | 1069.00 | NIST | |
| Tboil | [486.50; 497.70] | K |
|
| Tboil | 486.70 | K | NIST |
| Tboil | 497.70 | K | NIST |
| Tboil | 486.50 ± 1.50 | K | NIST |
| Tc | 726.51 | K | Relay (... Calculated Property |
| Tfus | 302.15 ± 2.00 | K | NIST |
| Vc | 0.309 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to 2-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
- McGowan Method
- NIST Webbook
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