- InChI
- InChI=1S/C15H21ClN2/c1-18(2)15(12-8-10-13(16)11-9-12)17-14-6-4-3-5-7-14/h8-11,14H,3-7H2,1-2H3/b17-15+
- InChI Key
- ZZTHDFDDGFVBLK-BMRADRMJSA-N
- Formula
- C15H21ClN2
- SMILES
- CN(C)C(=NC1CCCCC1)c1ccc(Cl)cc1
- Molecular Weight1
- 264.79
- 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 | 50.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.17 | kJ/mol | Joback Calculated Property |
| log10WS | -4.23 | Crippen Calculated Property | |
| logPoct/wat | 3.981 | Crippen Calculated Property | |
| McVol | 215.490 | ml/mol | McGowan Calculated Property |
| Pc | 1930.44 | kPa | Joback Calculated Property |
| Inp | [1904.00; 1904.00] |
|
|
| Inp | 1904.00 | NIST | |
| Inp | 1904.00 | NIST | |
| Tboil | 720.24 | K | Joback Calculated Property |
| Tc | 965.47 | K | Joback Calculated Property |
Similar Compounds
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Sources
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