- InChI
- InChI=1S/C13H19ClN2/c1-4-5-10-15-13(16(2)3)11-6-8-12(14)9-7-11/h6-9H,4-5,10H2,1-3H3/b15-13+
- InChI Key
- ZEZQNBAWIVRTGR-FYWRMAATSA-N
- Formula
- C13H19ClN2
- SMILES
- CCCCN=C(c1ccc(Cl)cc1)N(C)C
- Molecular Weight1
- 238.76
- 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 | 37.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.29 | kJ/mol | Joback Calculated Property |
| log10WS | -3.38 | Crippen Calculated Property | |
| logPoct/wat | 3.448 | Crippen Calculated Property | |
| McVol | 198.170 | ml/mol | McGowan Calculated Property |
| Pc | 1908.57 | kPa | Joback Calculated Property |
| Inp | [1733.00; 1733.00] |
|
|
| Inp | 1733.00 | NIST | |
| Inp | 1733.00 | NIST | |
| Tboil | 654.93 | K | Joback Calculated Property |
| Tc | 872.66 | K | Joback Calculated Property |
Similar Compounds
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Sources
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