- InChI
- InChI=1S/C10H11NS/c1-8-3-4-10(5-9(8)2)6-11-7-12/h3-5H,6H2,1-2H3
- InChI Key
- BNOGRVSYSGZCDC-UHFFFAOYSA-N
- Formula
- C10H11NS
- SMILES
- Cc1ccc(CN=C=S)cc1C
- Molecular Weight1
- 177.27
- CAS
- 206559-59-3
- 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 | 247.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.89 | kJ/mol | Joback Calculated Property |
| log10WS | -3.65 | Crippen Calculated Property | |
| logPoct/wat | 2.906 | Crippen Calculated Property | |
| McVol | 145.730 | ml/mol | McGowan Calculated Property |
| Pc | 2906.11 | kPa | Joback Calculated Property |
| Tboil | 610.79 | K | Joback Calculated Property |
| Tc | 861.13 | K | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,4-Dimethylbenzyl isothiocyanate.
Sources
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