- InChI
- InChI=1S/C11H9N/c1-2-5-10(6-3-1)11-7-4-8-12-9-11/h1-9H
- InChI Key
- HJKGBRPNSJADMB-UHFFFAOYSA-N
- Formula
- C11H9N
- SMILES
- c1ccc(-c2cccnc2)cc1
- Molecular Weight1
- 155.20
- CAS
- 1008-88-4
- Other Names
-
- 3-PhenyIpyridine
- 3-phenylpyridine
- m-Phenylpyridine
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization 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).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 | 0.3589 | Relay (1.0) Calculated Property | |
| ΔfG° | 301.71 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 269.93 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | [64.50; 68.40] | kJ/mol |
|
| ΔvapH° | 68.40 ± 1.60 | kJ/mol | NIST |
| ΔvapH° | 64.50 ± 4.50 | kJ/mol | NIST |
| IE | 8.69 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.96 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.749 | Crippen Calculated Property | |
| McVol | 128.310 | ml/mol | McGowan Calculated Property |
| Pc | 4422.68 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [249.84; 1470.00] |
|
|
| Inp | 1470.00 | NIST | |
| Inp | 1423.00 | NIST | |
| Inp | 1469.00 | NIST | |
| Inp | 1465.40 | NIST | |
| Inp | 1420.00 | NIST | |
| Inp | 1426.00 | NIST | |
| Inp | 1442.00 | NIST | |
| Inp | 250.03 | NIST | |
| Inp | 249.84 | NIST | |
| Inp | 1423.00 | NIST | |
| Inp | 1442.00 | NIST | |
| Inp | 1470.00 | NIST | |
| Inp | 250.03 | NIST | |
| I | [2200.00; 2293.00] |
|
|
| I | 2293.00 | NIST | |
| I | 2243.00 | NIST | |
| I | 2200.00 | NIST | |
| I | 2243.00 | NIST | |
| I | 2247.00 | NIST | |
| I | 2207.00 | NIST | |
| I | 2216.00 | NIST | |
| I | 2293.00 | NIST | |
| Tboil | 555.58 | K | Relay (1.0) Calculated Property |
| Tc | 808.68 | K | Relay (1.0) Calculated Property |
| Tfus | 307.49 | K | Relay (1.0) Calculated Property |
| Vc | 0.481 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 68.40 | kJ/mol | 298.00 | Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Heterocycles and Related Compounds |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 542.70 | K | 99.90 | NIST |
Similar Compounds
Find more compounds similar to Pyridine, 3-phenyl-.
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
- Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Heterocycles and Related Compounds
- McGowan Method
- NIST Webbook
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