- InChI
- InChI=1S/C9H9NS/c1-7-4-3-5-8(2)9(7)10-6-11/h3-5H,1-2H3
- InChI Key
- UULUECCNPPJFBU-UHFFFAOYSA-N
- Formula
- C9H9NS
- SMILES
- Cc1cccc(C)c1N=C=S
- Molecular Weight1
- 163.24
- CAS
- 19241-16-8
- Other Names
-
- Benzene, 2-isothiocyanato-1,3-dimethyl-
- 2,6-Dimethylphenyl-1-isothiocyanate
- Isothiocyanic acid, 2,6-xylyl ester
- 2,6-Xylyl isothiocyanate
- 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 | 268.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.67 | kJ/mol | Joback Calculated Property |
| log10WS | -3.34 | Crippen Calculated Property | |
| logPoct/wat | 3.038 | Crippen Calculated Property | |
| McVol | 131.640 | ml/mol | McGowan Calculated Property |
| Pc | 3231.98 | kPa | Joback Calculated Property |
| Tboil | 587.91 | K | Joback Calculated Property |
| Tc | 844.05 | K | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,6-Dimethylphenyl isothiocyanate.
Sources
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