- InChI
- InChI=1S/C13H9Cl2N/c14-11-6-4-10(5-7-11)9-16-13-3-1-2-12(15)8-13/h1-9H/b16-9+
- InChI Key
- NNWYYLJSAVGNSF-CXUHLZMHSA-N
- Formula
- C13H9Cl2N
- SMILES
- Clc1ccc(C=Nc2cccc(Cl)c2)cc1
- Molecular Weight1
- 250.12
- 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 | 189.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.49 | kJ/mol | Joback Calculated Property |
| log10WS | -4.71 | Crippen Calculated Property | |
| logPoct/wat | 4.744 | Crippen Calculated Property | |
| McVol | 176.670 | ml/mol | McGowan Calculated Property |
| Pc | 2467.81 | kPa | Joback Calculated Property |
| Inp | [2171.00; 2171.00] |
|
|
| Inp | 2171.00 | NIST | |
| Inp | 2171.00 | NIST | |
| Tboil | 711.70 | K | Joback Calculated Property |
| Tc | 979.46 | K | Joback Calculated Property |
Similar Compounds
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Sources
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