- InChI
- InChI=1S/C7H4INS/c8-6-3-1-2-4-7(6)9-5-10/h1-4H
- InChI Key
- ODOTYLQYSDVPMA-UHFFFAOYSA-N
- Formula
- C7H4INS
- SMILES
- S=C=Nc1ccccc1I
- Molecular Weight1
- 261.08
- CAS
- 98041-44-2
- 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 | 398.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.93 | kJ/mol | Joback Calculated Property |
| log10WS | -3.54 | Crippen Calculated Property | |
| logPoct/wat | 3.026 | Crippen Calculated Property | |
| McVol | 129.280 | ml/mol | McGowan Calculated Property |
| Pc | 4036.37 | kPa | Joback Calculated Property |
| Tboil | 630.31 | K | Joback Calculated Property |
| Tc | 931.44 | K | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Iodophenyl isothiocyanate.
Sources
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