- InChI
- InChI=1S/C7H3ClFNS/c8-6-3-5(10-4-11)1-2-7(6)9/h1-3H
- InChI Key
- BUVRIIKIGKFOKD-UHFFFAOYSA-N
- Formula
- C7H3ClFNS
- SMILES
- Fc1ccc(N=C=S)cc1Cl
- Molecular Weight1
- 187.62
- CAS
- 137724-66-4
- 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 | 98.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.78 | kJ/mol | Joback Calculated Property |
| log10WS | -3.41 | Crippen Calculated Property | |
| logPoct/wat | 3.213 | Crippen Calculated Property | |
| McVol | 117.470 | ml/mol | McGowan Calculated Property |
| Pc | 3677.55 | kPa | Joback Calculated Property |
| Tboil | 578.85 | K | Joback Calculated Property |
| Tc | 836.59 | K | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Chloro-4-fluorophenyl isothiocyanate.
Sources
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