- InChI
- InChI=1S/C12H15Cl3N2/c1-2-3-4-5-6-16-17-12-10(14)7-9(13)8-11(12)15/h6-8,17H,2-5H2,1H3
- InChI Key
- LHOUDHVMCMTYLB-UHFFFAOYSA-N
- Formula
- C12H15Cl3N2
- SMILES
- CCCCCC=NNc1c(Cl)cc(Cl)cc1Cl
- Molecular Weight1
- 293.62
- 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 | -0.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.47 | kJ/mol | Joback Calculated Property |
| log10WS | -5.78 | Crippen Calculated Property | |
| logPoct/wat | 5.625 | Crippen Calculated Property | |
| McVol | 208.560 | ml/mol | McGowan Calculated Property |
| Pc | 1911.91 | kPa | Joback Calculated Property |
| Inp | [2126.00; 2126.00] |
|
|
| Inp | 2126.00 | NIST | |
| Inp | 2126.00 | NIST | |
| Tboil | 754.72 | K | Joback Calculated Property |
| Tc | 982.08 | K | Joback Calculated Property |
Similar Compounds
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Sources
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