- InChI
- InChI=1S/C9H8ClNS/c10-9-3-1-8(2-4-9)5-6-11-7-12/h1-4H,5-6H2
- InChI Key
- MRJJYUJULSZFDV-UHFFFAOYSA-N
- Formula
- C9H8ClNS
- SMILES
- S=C=NCCc1ccc(Cl)cc1
- Molecular Weight1
- 197.69
- CAS
- 17608-10-5
- 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).
- 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 | 264.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.39 | kJ/mol | Joback Calculated Property |
| log10WS | -3.31 | Crippen Calculated Property | |
| logPoct/wat | 2.985 | Crippen Calculated Property | |
| McVol | 143.880 | ml/mol | McGowan Calculated Property |
| Pc | 3152.62 | kPa | Joback Calculated Property |
| Tboil | 620.36 | K | Joback Calculated Property |
| Tc | 878.63 | K | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-(4-Chlorophenethyl) isothiocyanate.
Sources
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