- InChI
- InChI=1S/C14H11NOS/c1-16-14-8-7-12(9-13(14)15-10-17)11-5-3-2-4-6-11/h2-9H,1H3
- InChI Key
- TZRMLJYZKZTEFW-UHFFFAOYSA-N
- Formula
- C14H11NOS
- SMILES
- COc1ccc(-c2ccccc2)cc1N=C=S
- Molecular Weight1
- 241.31
- CAS
- 206761-68-4
- 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 | 269.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.48 | kJ/mol | Joback Calculated Property |
| log10WS | -5.11 | Crippen Calculated Property | |
| logPoct/wat | 4.096 | Crippen Calculated Property | |
| McVol | 184.200 | ml/mol | McGowan Calculated Property |
| Pc | 2698.60 | kPa | Joback Calculated Property |
| Tboil | 751.41 | K | Joback Calculated Property |
| Tc | 1024.56 | K | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (2-Methoxy-5-phenyl)phenylisothiocyanate.
Sources
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