- InChI
- InChI=1S/C7H3Cl2NO/c8-5-1-2-6(9)7(3-5)10-4-11/h1-3H
- InChI Key
- PEQMJVGRHNZPAM-UHFFFAOYSA-N
- Formula
- C7H3Cl2NO
- SMILES
- O=C=Nc1cc(Cl)ccc1Cl
- Molecular Weight1
- 188.01
- CAS
- 5392-82-5
- Other Names
-
- 2,5-Dichlorophenyl isocyanate
- Isocyanic acid, 2,5-dichlorophenyl ester
- 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 | -11.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.08 | kJ/mol | Joback Calculated Property |
| log10WS | -7.32 | Crippen Calculated Property | |
| logPoct/wat | 2.961 | Crippen Calculated Property | |
| McVol | 117.460 | ml/mol | McGowan Calculated Property |
| Pc | 3960.52 | kPa | Joback Calculated Property |
| Tboil | 537.73 | K | Joback Calculated Property |
| Tc | 775.74 | K | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1,4-dichloro-2-isocyanato-.
Sources
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