- InChI
- InChI=1S/C3Cl3NO2/c4-3(5,6)2(9)7-1-8
- InChI Key
- GRNOZCCBOFGDCL-UHFFFAOYSA-N
- Formula
- C3Cl3NO2
- SMILES
- O=C=NC(=O)C(Cl)(Cl)Cl
- Molecular Weight1
- 188.40
- CAS
- 3019-71-4
- Other Names
-
- 2,2,2-Trichloroacetyl isocyanate
- Acetyl isocyanate, trichloro-
- 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 | -279.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.41 | kJ/mol | Joback Calculated Property |
| log10WS | -5.91 | Crippen Calculated Property | |
| logPoct/wat | 1.219 | Crippen Calculated Property | |
| McVol | 98.670 | ml/mol | McGowan Calculated Property |
| Pc | 4684.89 | kPa | Joback Calculated Property |
| Tboil | 497.64 | K | Joback Calculated Property |
| Tc | 727.14 | K | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Trichloroacetyl isocyanate.
Sources
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