- InChI
- InChI=1S/C14H12ClN/c15-14-8-6-13(7-9-14)11-16-10-12-4-2-1-3-5-12/h1-9,11H,10H2
- InChI Key
- BZBIJDZJMFLHDK-UHFFFAOYSA-N
- Formula
- C14H12ClN
- SMILES
- Clc1ccc(C=NCc2ccccc2)cc1
- Molecular Weight1
- 229.71
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- 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.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | 195.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.67 | kJ/mol | Joback Calculated Property |
| log10WS | -4.34 | Crippen Calculated Property | |
| logPoct/wat | 3.959 | Crippen Calculated Property | |
| McVol | 178.520 | ml/mol | McGowan Calculated Property |
| Pc | 2363.37 | kPa | Joback Calculated Property |
| Inp | [2024.00; 2024.00] |
|
|
| Inp | 2024.00 | NIST | |
| Inp | 2024.00 | NIST | |
| Tboil | 692.17 | K | Joback Calculated Property |
| Tc | 950.78 | K | Joback Calculated Property |
Similar Compounds
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Sources
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