- InChI
- InChI=1S/C3H2ClNO2/c4-1-3(7)5-2-6/h1H2
- InChI Key
- MOVMEFHWBOWMFU-UHFFFAOYSA-N
- Formula
- C3H2ClNO2
- SMILES
- O=C=NC(=O)CCl
- Molecular Weight1
- 119.51
- CAS
- 4461-30-7
- Other Names
-
- Chloroacetyl isocyante
- 2-Chloroacetyl isocyanate
- Acetyl isocyanate, chloro-
- 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 | -238.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.94 | kJ/mol | Joback Calculated Property |
| log10WS | -4.50 | Crippen Calculated Property | |
| logPoct/wat | 0.088 | Crippen Calculated Property | |
| McVol | 74.190 | ml/mol | McGowan Calculated Property |
| Pc | 5058.59 | kPa | Joback Calculated Property |
| Tboil | 426.01 | K | Joback Calculated Property |
| Tc | 628.43 | K | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Chloroacetyl isocyanate.
Sources
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