- InChI
- InChI=1S/C8H6BrNS/c1-6-2-3-8(10-5-11)7(9)4-6/h2-4H,1H3
- InChI Key
- DQXSCOWMTPPFCJ-UHFFFAOYSA-N
- Formula
- C8H6BrNS
- SMILES
- Cc1ccc(N=C=S)c(Br)c1
- Molecular Weight1
- 228.11
- CAS
- 19241-39-5
- 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 | 315.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.88 | kJ/mol | Joback Calculated Property |
| log10WS | -4.03 | Crippen Calculated Property | |
| logPoct/wat | 3.492 | Crippen Calculated Property | |
| McVol | 135.050 | ml/mol | McGowan Calculated Property |
| Pc | 3935.71 | kPa | Joback Calculated Property |
| Tboil | 631.19 | K | Joback Calculated Property |
| Tc | 906.91 | K | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Bromo-4-methylphenyl isothiocyanate.
Sources
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