- InChI
- InChI=1S/C8H11N/c1-2-4-8-5-3-6-9-7-8/h3,5-7H,2,4H2,1H3
- InChI Key
- MLAXEZHEGARMPE-UHFFFAOYSA-N
- Formula
- C8H11N
- SMILES
- CCCc1cccnc1
- Molecular Weight1
- 121.18
- CAS
- 4673-31-8
- Other Names
-
- 3-Propylpyridine
- 1-(3-Pyridyl)propane
- 3-(n-Propyl)pyridine
- Pyridine, 5-propyl
- 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).
- 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 | 0.3713 | Relay (1.0) Calculated Property | |
| ΔfG° | 187.36 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 71.07 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 50.66 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.35 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.67 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.034 | Crippen Calculated Property | |
| McVol | 109.800 | ml/mol | McGowan Calculated Property |
| Pc | 3458.69 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [1018.00; 1038.00] |
|
|
| Inp | 1038.00 | NIST | |
| Inp | 1018.00 | NIST | |
| Inp | 1019.00 | NIST | |
| Inp | 1034.00 | NIST | |
| I | [1457.00; 1494.00] |
|
|
| I | Outlier 1494.00 | NIST | |
| I | 1457.00 | NIST | |
| I | 1460.00 | NIST | |
| I | 1461.00 | NIST | |
| I | 1462.00 | NIST | |
| I | 1463.00 | NIST | |
| I | 1457.00 | NIST | |
| Tboil | 462.89 | K | Relay (1.0) Calculated Property |
| Tc | 673.86 | K | Relay (1.0) Calculated Property |
| Tfus | 208.11 | K | Relay (1.0) Calculated Property |
| Vc | 0.407 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 49.90 | kJ/mol | 400.00 | NIST |
Similar Compounds
Find more compounds similar to Pyridine, 3-propyl-.
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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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.