- InChI
- InChI=1S/C10H12ClNO/c1-2-7-12-10(13)8-5-3-4-6-9(8)11/h3-6H,2,7H2,1H3,(H,12,13)
- InChI Key
- VJLMNWHJVYHPCP-UHFFFAOYSA-N
- Formula
- C10H12ClNO
- SMILES
- CCCN=C(O)c1ccccc1Cl
- Molecular Weight1
- 197.66
- 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 | -120.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.25 | kJ/mol | Joback Calculated Property |
| log10WS | -2.88 | Crippen Calculated Property | |
| logPoct/wat | 3.055 | Crippen Calculated Property | |
| McVol | 151.790 | ml/mol | McGowan Calculated Property |
| Pc | 2749.78 | kPa | Joback Calculated Property |
| Inp | [1674.00; 1674.00] |
|
|
| Inp | 1674.00 | NIST | |
| Inp | 1674.00 | NIST | |
| Tboil | 666.03 | K | Joback Calculated Property |
| Tc | 881.46 | K | Joback Calculated Property |
Similar Compounds
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Sources
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