- InChI
- InChI=1S/C4H5Br2NS/c5-1-4(6)2-7-3-8/h4H,1-2H2
- InChI Key
- AFQQAAKQKFCSPQ-UHFFFAOYSA-N
- Formula
- C4H5Br2NS
- SMILES
- S=C=NCC(Br)CBr
- Molecular Weight1
- 258.96
- CAS
- 51784-10-2
- 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 | 205.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.42 | kJ/mol | Joback Calculated Property |
| log10WS | -2.41 | Crippen Calculated Property | |
| logPoct/wat | 2.248 | Crippen Calculated Property | |
| McVol | 119.950 | ml/mol | McGowan Calculated Property |
| Pc | 4862.97 | kPa | Joback Calculated Property |
| Tboil | 568.75 | K | Joback Calculated Property |
| Tc | 829.11 | K | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,3-Dibromopropyl isothiocyanate.
Sources
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