- InChI
- InChI=1S/C9H8FNS/c1-7(11-6-12)8-2-4-9(10)5-3-8/h2-5,7H,1H3
- InChI Key
- JXMBAXGHCKMDES-UHFFFAOYSA-N
- Formula
- C9H8FNS
- SMILES
- CC(N=C=S)c1ccc(F)cc1
- Molecular Weight1
- 181.23
- CAS
- 182565-27-1
- 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 | 78.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.80 | kJ/mol | Joback Calculated Property |
| log10WS | -3.42 | Crippen Calculated Property | |
| logPoct/wat | 2.990 | Crippen Calculated Property | |
| McVol | 133.410 | ml/mol | McGowan Calculated Property |
| Pc | 3152.62 | kPa | Joback Calculated Property |
| Tboil | 581.76 | K | Joback Calculated Property |
| Tc | 829.25 | K | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Fluoro-«alpha»-methylbenzyl isothiocyanate.
Sources
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