- InChI
- InChI=1S/C8H6ClNO/c1-6-4-7(9)2-3-8(6)10-5-11/h2-4H,1H3
- InChI Key
- FTZJLXIATZSKIL-UHFFFAOYSA-N
- Formula
- C8H6ClNO
- SMILES
- Cc1cc(Cl)ccc1N=C=O
- Molecular Weight1
- 167.59
- CAS
- 37408-18-7
- Other Names
-
- 4-Chloro-2-methylphenyl isocyanate
- 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 | -16.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.92 | kJ/mol | Joback Calculated Property |
| log10WS | -7.11 | Crippen Calculated Property | |
| logPoct/wat | 2.616 | Crippen Calculated Property | |
| McVol | 119.310 | ml/mol | McGowan Calculated Property |
| Pc | 3682.02 | kPa | Joback Calculated Property |
| Tboil | 523.18 | K | Joback Calculated Property |
| Tc | 752.02 | K | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Chloro-o-tolyl isocyanate.
Sources
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