- InChI
- InChI=1S/C12H11N/c1-2-6-11(7-3-1)10-12-8-4-5-9-13-12/h1-9H,10H2
- InChI Key
- PCFUWBOSXMKGIP-UHFFFAOYSA-N
- Formula
- C12H11N
- SMILES
- c1ccc(Cc2ccccn2)cc1
- Molecular Weight1
- 169.22
- CAS
- 101-82-6
- Other Names
-
- 2-Benzylpyridine
- Pyridine, 2-benzyl-
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- 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).
- Tboilr : Boiling point at reduced pressure (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔvapH° | 69.90 ± 2.80 | kJ/mol | NIST |
| log10WS | -3.34 | Crippen Calculated Property | |
| logPoct/wat | 2.672 | Crippen Calculated Property | |
| McVol | 142.400 | ml/mol | McGowan Calculated Property |
| Inp | [1432.00; 1482.00] |
|
|
| Inp | 1439.20 | NIST | |
| Inp | 1432.00 | NIST | |
| Inp | 1482.00 | NIST | |
| I | 2168.00 | NIST | |
| Tboil | 549.20 | K | NIST |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 69.80 | kJ/mol | 298.00 | Hypothe... |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [366.50; 549.20] | K | [0.10; 98.90] |
|
| Tboilr | 366.50 ± 0.50 | K | 0.10 | NIST |
| Tboilr | 549.20 | K | 98.90 | NIST |
| Tboilr | 549.00 | K | 98.90 | NIST |
Similar Compounds
Find more compounds similar to Pyridine, 2-(phenylmethyl)-.
Sources
- Crippen Method
- Crippen Method
- Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Heterocycles and Related Compounds
- McGowan Method
- NIST Webbook
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