- InChI
- InChI=1S/C7H4ClNO3S/c8-6-1-3-7(4-2-6)13(11,12)9-5-10/h1-4H
- InChI Key
- JGHDVROWMPBQSR-UHFFFAOYSA-N
- Formula
- C7H4ClNO3S
- SMILES
- O=C=NS(=O)(=O)c1ccc(Cl)cc1
- Molecular Weight1
- 217.63
- CAS
- 5769-15-3
- Other Names
-
- p-Chlorobenzenesulfonyl isocyanate
- 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 | -437.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.67 | kJ/mol | Joback Calculated Property |
| log10WS | -6.34 | Crippen Calculated Property | |
| logPoct/wat | 1.365 | Crippen Calculated Property | |
| McVol | 133.310 | ml/mol | McGowan Calculated Property |
| Pc | 5235.81 | kPa | Joback Calculated Property |
| Tboil | 543.10 | K | Joback Calculated Property |
| Tc | 765.56 | K | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Chlorobenzenesulfonyl isocyanate.
Sources
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