- InChI
- InChI=1S/C9H9NOS/c1-11-9-5-3-2-4-8(9)6-10-7-12/h2-5H,6H2,1H3
- InChI Key
- HUYOVUYNRGOCLZ-UHFFFAOYSA-N
- Formula
- C9H9NOS
- SMILES
- COc1ccccc1CN=C=S
- Molecular Weight1
- 179.24
- CAS
- 17608-09-2
- 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 | 147.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.42 | kJ/mol | Joback Calculated Property |
| log10WS | -2.82 | Crippen Calculated Property | |
| logPoct/wat | 2.298 | Crippen Calculated Property | |
| McVol | 137.510 | ml/mol | McGowan Calculated Property |
| Pc | 3224.64 | kPa | Joback Calculated Property |
| Tboil | 605.35 | K | Joback Calculated Property |
| Tc | 856.17 | K | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Methoxybenzyl isothiocyanate.
Sources
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