- InChI
- InChI=1S/C8H6ClNO/c1-6-2-3-7(10-5-11)4-8(6)9/h2-4H,1H3
- InChI Key
- UKTKKMZDESVUEE-UHFFFAOYSA-N
- Formula
- C8H6ClNO
- SMILES
- Cc1ccc(N=C=O)cc1Cl
- Molecular Weight1
- 167.59
- CAS
- 51488-20-1
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°liquid : Liquid phase 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 |
|---|---|---|---|
| ΔcH°liquid | -3900.00 ± 24.00 | kJ/mol | NIST |
| ΔfH°gas | -77.00 ± 25.00 | kJ/mol | NIST |
| ΔfH°liquid | -126.00 ± 24.00 | kJ/mol | NIST |
| 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 3-Chloro-4-methylphenylisocyanate.
Sources
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