- InChI
- InChI=1S/C7F5NS/c8-2-3(9)5(11)7(13-1-14)6(12)4(2)10
- InChI Key
- NGNKMRBGZPDABE-UHFFFAOYSA-N
- Formula
- C7F5NS
- SMILES
- Fc1c(F)c(F)c(N=C=S)c(F)c1F
- Molecular Weight1
- 225.14
- CAS
- 35923-79-6
- Other Names
-
- Benzene, pentafluoroisothiocyanato-
- perfluorophenyl 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 | -705.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 43.12 | kJ/mol | Joback Calculated Property |
| log10WS | -4.05 | Crippen Calculated Property | |
| logPoct/wat | 3.116 | Crippen Calculated Property | |
| McVol | 112.310 | ml/mol | McGowan Calculated Property |
| Pc | 2963.34 | kPa | Joback Calculated Property |
| Tboil | 553.44 | K | Joback Calculated Property |
| Tc | 762.23 | K | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pentafluorophenyl isothiocyanate.
Sources
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