- InChI
- InChI=1S/C16H17ClN2/c1-19(2)16(14-8-10-15(17)11-9-14)18-12-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3
- InChI Key
- DXGZZTLSENIZGU-UHFFFAOYSA-N
- Formula
- C16H17ClN2
- SMILES
-
CN(C)C(=NCc1ccccc1)c1ccc(Cl)cc
1 - Molecular Weight1
- 272.77
- 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 | 212.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.25 | kJ/mol | Joback Calculated Property |
| log10WS | -4.24 | Crippen Calculated Property | |
| logPoct/wat | 3.848 | Crippen Calculated Property | |
| McVol | 216.680 | ml/mol | McGowan Calculated Property |
| Pc | 1982.35 | kPa | Joback Calculated Property |
| Inp | [2121.00; 2121.00] |
|
|
| Inp | 2121.00 | NIST | |
| Inp | 2121.00 | NIST | |
| Tboil | 750.25 | K | Joback Calculated Property |
| Tc | 997.36 | K | Joback Calculated Property |
Similar Compounds
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Sources
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