- InChI
- InChI=1S/C8H11N/c1-2-3-8-4-6-9-7-5-8/h4-7H,2-3H2,1H3
- InChI Key
- JAWZAONCXMJLFT-UHFFFAOYSA-N
- Formula
- C8H11N
- SMILES
- CCCc1ccncc1
- Molecular Weight1
- 121.18
- CAS
- 1122-81-2
- Other Names
-
- 4-Propylpyridine
- 4-n-Propylpyridine
- 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).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| log10WS | -2.46 | Crippen Calculated Property | |
| logPoct/wat | 2.034 | Crippen Calculated Property | |
| McVol | 109.800 | ml/mol | McGowan Calculated Property |
| Inp | [1023.00; 1072.00] |
|
|
| Inp | 1032.30 | NIST | |
| Inp | 1032.30 | NIST | |
| Inp | 1034.00 | NIST | |
| Inp | 1054.00 | NIST | |
| Inp | 1059.00 | NIST | |
| Inp | 1072.00 | NIST | |
| Inp | 1049.60 | NIST | |
| Inp | 1023.00 | NIST | |
| Inp | 1024.00 | NIST | |
| Inp | 1067.00 | NIST | |
| Inp | 1032.30 | NIST | |
| Inp | 1072.00 | NIST | |
| Inp | 1067.00 | NIST | |
| I | [1464.00; 1475.00] |
|
|
| I | 1470.00 | NIST | |
| I | 1475.00 | NIST | |
| I | 1464.00 | NIST | |
| Tboil | 458.20 | K | NIST |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 47.80 | kJ/mol | 409.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [341.52; 486.81] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.47512e+01 | |||
| Coefficient B | -3.94864e+03 | |||
| Coefficient C | -6.85160e+01 | |||
| Temperature range, min. | 341.52 | |||
| Temperature range, max. | 486.81 | |||
| Pvap | 1.33 | kPa | 341.52 | Calculated Property |
| Pvap | 2.99 | kPa | 357.66 | Calculated Property |
| Pvap | 6.15 | kPa | 373.81 | Calculated Property |
| Pvap | 11.78 | kPa | 389.95 | Calculated Property |
| Pvap | 21.21 | kPa | 406.09 | Calculated Property |
| Pvap | 36.16 | kPa | 422.24 | Calculated Property |
| Pvap | 58.87 | kPa | 438.38 | Calculated Property |
| Pvap | 92.00 | kPa | 454.52 | Calculated Property |
| Pvap | 138.72 | kPa | 470.67 | Calculated Property |
| Pvap | 202.63 | kPa | 486.81 | Calculated Property |
Similar Compounds
Find more compounds similar to Pyridine, 4-propyl-.
Sources
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