- InChI
- InChI=1S/C7H5NO3S/c9-6-8-12(10,11)7-4-2-1-3-5-7/h1-5H
- InChI Key
- UJYAZVSPFMJCLW-UHFFFAOYSA-N
- Formula
- C7H5NO3S
- SMILES
- O=C=NS(=O)(=O)c1ccccc1
- Molecular Weight1
- 183.18
- CAS
- 2845-62-7
- Other Names
-
- phenylsulphonyl 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 | -410.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.62 | kJ/mol | Joback Calculated Property |
| log10WS | -5.65 | Crippen Calculated Property | |
| logPoct/wat | 0.711 | Crippen Calculated Property | |
| McVol | 121.070 | ml/mol | McGowan Calculated Property |
| Pc | 5653.23 | kPa | Joback Calculated Property |
| Tboil | 500.69 | K | Joback Calculated Property |
| Tc | 717.05 | K | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzenesulfonyl isocyanate.
Sources
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