- InChI
- InChI=1S/C6H4N2/c7-4-6-2-1-3-8-5-6/h1-3,5H
- InChI Key
- GZPHSAQLYPIAIN-UHFFFAOYSA-N
- Formula
- C6H4N2
- SMILES
- N#Cc1cccnc1
- Molecular Weight1
- 104.11
- CAS
- 100-54-9
- Other Names
-
- 3-Azabenzonitrile
- 3-Cyjanopirydyna
- 3-Pyridinenitrile
- 3-Pyridyl cyanide
- 3-cyanopyridine
- 3-pyridylcarbonitrile
- NSC 17558
- Nitryl kwasu nikotynowego
- Pyridine-3-carbonitrile
- nicotinic acid nitrile
- nicotinonitrile
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- ΔcH°solid : Standard solid enthalpy of combustion (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 a given temperature (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).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry.
Do not hesitate to contact us for your projects.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| PAff | 877.00 | kJ/mol | NIST |
| BasG | 845.10 | kJ/mol | NIST |
| ΔcH°solid | [-3138.50; -3126.00] | kJ/mol |
|
| ΔcH°solid | -3138.50 ± 0.50 | kJ/mol | NIST |
| ΔcH°solid | -3126.00 | kJ/mol | NIST |
| ΔfH°gas | [265.40; 277.90] | kJ/mol |
|
| ΔfH°gas | 277.90 ± 2.00 | kJ/mol | NIST |
| ΔfH°gas | 265.40 | kJ/mol | NIST |
| ΔfH°solid | [193.30; 205.80] | kJ/mol |
|
| ΔfH°solid | 205.80 ± 0.90 | kJ/mol | NIST |
| ΔfH°solid | 193.30 | kJ/mol | NIST |
| ΔsubH° | [72.10; 72.10] | kJ/mol |
|
| ΔsubH° | 72.10 ± 1.80 | kJ/mol | NIST |
| ΔsubH° | 72.10 | kJ/mol | NIST |
| ΔsubH° | 72.10 ± 1.80 | kJ/mol | NIST |
| IE | [10.10; 10.40] | eV |
|
| IE | 10.40 ± 0.10 | eV | NIST |
| IE | 10.37 | eV | NIST |
| IE | 10.10 | eV | NIST |
| log10WS | -1.59 | Crippen Calculated Property | |
| logPoct/wat | 0.953 | Crippen Calculated Property | |
| McVol | 83.000 | ml/mol | McGowan Calculated Property |
| Inp | [1007.00; 1012.70] |
|
|
| Inp | 1007.00 | NIST | |
| Inp | 1012.70 | NIST | |
| Inp | 1012.00 | NIST | |
| Inp | 1012.70 | NIST | |
| Inp | 1012.00 | NIST | |
| Inp | 1007.00 | NIST | |
| I | 1875.00 | NIST | |
| Tboil | [474.00; 515.70] | K |
|
| Tboil | 474.20 | K | NIST |
| Tboil | 515.70 | K | NIST |
| Tboil | 474.00 ± 1.00 | K | NIST |
| Tboil | 479.85 ± 0.60 | K | NIST |
| Tfus | [323.15; 325.05] | K |
|
| Tfus | 325.05 | K | Measure... |
| Tfus | 323.15 ± 1.00 | K | NIST |
| Tfus | 323.65 ± 1.00 | K | NIST |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 45.00 | kJ/mol | 466.00 | NIST |
Similar Compounds
Find more compounds similar to 3-Pyridinecarbonitrile.
Mixtures
- 3-Pyridinecarbonitrile + Ethanol
- 3-Pyridinecarbonitrile + Methyl Alcohol
- 3-Pyridinecarbonitrile + 1-Butanol
- 3-Pyridinecarbonitrile + 1-Propanol, 2-methyl-
- 3-Pyridinecarbonitrile + Ethyl Acetate
- 3-Pyridinecarbonitrile + Acetone
- 3-Pyridinecarbonitrile + Carbon Tetrachloride
- 1-Propanol + 3-Pyridinecarbonitrile
Sources
- 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
- Solubility in Different Solvents, Crystal Polymorph and Morphology, and Optimization of Crystallization Process of AIBN
- 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. Take the time to validate and double check the source of the data.