- InChI
- InChI=1S/C3H4BrNS/c4-1-2-5-3-6/h1-2H2
- InChI Key
- SGJVENMTWFTZOJ-UHFFFAOYSA-N
- Formula
- C3H4BrNS
- SMILES
- S=C=NCCBr
- Molecular Weight1
- 166.04
- CAS
- 1483-41-6
- 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 | 205.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 39.15 | kJ/mol | Joback Calculated Property |
| log10WS | -1.44 | Crippen Calculated Property | |
| logPoct/wat | 1.484 | Crippen Calculated Property | |
| McVol | 88.360 | ml/mol | McGowan Calculated Property |
| Pc | 4994.44 | kPa | Joback Calculated Property |
| Tboil | 480.15 | K | Joback Calculated Property |
| Tc | 723.54 | K | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Bromoethyl isothiocyanate.
Sources
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