- InChI
- InChI=1S/C9H18ClNO/c1-8(2)7-11-9(12)5-3-4-6-10/h8H,3-7H2,1-2H3,(H,11,12)
- InChI Key
- KVQOKZTZOQQPQT-UHFFFAOYSA-N
- Formula
- C9H18ClNO
- SMILES
- CC(C)CN=C(O)CCCCCl
- Molecular Weight1
- 191.70
- 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 | -329.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.70 | kJ/mol | Joback Calculated Property |
| log10WS | -2.48 | Crippen Calculated Property | |
| logPoct/wat | 3.008 | Crippen Calculated Property | |
| McVol | 161.460 | ml/mol | McGowan Calculated Property |
| Pc | 2227.09 | kPa | Joback Calculated Property |
| Inp | [1572.00; 1572.00] |
|
|
| Inp | 1572.00 | NIST | |
| Inp | 1572.00 | NIST | |
| Tboil | 611.05 | K | Joback Calculated Property |
| Tc | 795.95 | K | Joback Calculated Property |
Similar Compounds
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Sources
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