- InChI
- InChI=1S/C8H6FNS/c9-8-3-1-7(2-4-8)5-10-6-11/h1-4H,5H2
- InChI Key
- LPVNPJMEWWUFHD-UHFFFAOYSA-N
- Formula
- C8H6FNS
- SMILES
- Fc1ccc(CN=C=S)cc1
- Molecular Weight1
- 167.20
- CAS
- 2740-88-7
- Other Names
-
- Benzene, 1-fluoro-4-(isothiocyanatomethyl)-
- p-fluorobenzyl isothiocyanate
- 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 | 104.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.96 | kJ/mol | Joback Calculated Property |
| log10WS | -3.03 | Crippen Calculated Property | |
| logPoct/wat | 2.429 | Crippen Calculated Property | |
| McVol | 119.320 | ml/mol | McGowan Calculated Property |
| Pc | 3488.88 | kPa | Joback Calculated Property |
| Tboil | 559.32 | K | Joback Calculated Property |
| Tc | 806.48 | K | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Fluorobenzyl isothiocyanate.
Sources
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