- InChI
- InChI=1S/C7H4FNS/c8-6-1-3-7(4-2-6)9-5-10/h1-4H
- InChI Key
- NFIUJHJMCQQYDL-UHFFFAOYSA-N
- Formula
- C7H4FNS
- SMILES
- Fc1ccc(N=C=S)cc1
- Molecular Weight1
- 153.18
- CAS
- 1544-68-9
- Other Names
-
- p-Fluorophenyl isothiocyanate
- 4-Fluorophenyl isothiocyanate
- Isothiocyanic acid, p-fluorophenyl 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 | 125.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 43.74 | kJ/mol | Joback Calculated Property |
| log10WS | -2.72 | Crippen Calculated Property | |
| logPoct/wat | 2.560 | Crippen Calculated Property | |
| McVol | 105.230 | ml/mol | McGowan Calculated Property |
| Pc | 3920.94 | kPa | Joback Calculated Property |
| Tboil | 536.44 | K | Joback Calculated Property |
| Tc | 788.99 | K | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-fluoro-4-isothiocyanato-.
Sources
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