- InChI
- InChI=1S/C8H4ClNOS/c9-7-3-1-2-6(4-7)8(11)10-5-12/h1-4H
- InChI Key
- ZUISLKTWVWIULT-UHFFFAOYSA-N
- Formula
- C8H4ClNOS
- SMILES
- O=C(N=C=S)c1cccc(Cl)c1
- Molecular Weight1
- 197.64
- CAS
- 66090-36-6
- 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 | 172.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.91 | kJ/mol | Joback Calculated Property |
| log10WS | -3.24 | Crippen Calculated Property | |
| logPoct/wat | 2.583 | Crippen Calculated Property | |
| McVol | 131.360 | ml/mol | McGowan Calculated Property |
| Pc | 3801.00 | kPa | Joback Calculated Property |
| Tboil | 651.35 | K | Joback Calculated Property |
| Tc | 922.35 | K | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Chlorobenzoyl isothiocyanate.
Sources
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