- InChI
- InChI=1S/C6HF5S/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H
- InChI Key
- UVAMFBJPMUMURT-UHFFFAOYSA-N
- Formula
- C6HF5S
- SMILES
- Fc1c(F)c(F)c(S)c(F)c1F
- Molecular Weight1
- 200.13
- CAS
- 771-62-0
- Other Names
-
- Pentafluorobenzenethiol
- Pentafluorothiophenol
- 2,3,4,5,6-Pentafluorothiphenol
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- 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).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.4034 | Relay (1.0) Calculated Property | |
| ΔfG° | -880.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -733.39 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.90 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.04 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.39 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.671 | Crippen Calculated Property | |
| McVol | 96.840 | ml/mol | McGowan Calculated Property |
| Pc | 3464.28 | kPa | Joback Calculated Property |
| Tboil | [416.00; 416.20] | K |
|
| Tboil | 416.00 | K | NIST |
| Tboil | 416.20 | K | NIST |
| Tc | 617.95 | K | Relay (1.0) Calculated Property |
| Tfus | 271.59 | K | Relay (1.0) Calculated Property |
| Vc | 0.356 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [186.23; 217.94] | J/mol×K | [447.47; 636.97] |
|
| Cp,gas | 186.23 | J/mol×K | 447.47 | Joback Calculated Property |
| Cp,gas | 192.07 | J/mol×K | 479.05 | Joback Calculated Property |
| Cp,gas | 197.69 | J/mol×K | 510.64 | Joback Calculated Property |
| Cp,gas | 203.09 | J/mol×K | 542.22 | Joback Calculated Property |
| Cp,gas | 208.26 | J/mol×K | 573.81 | Joback Calculated Property |
| Cp,gas | 213.22 | J/mol×K | 605.39 | Joback Calculated Property |
| Cp,gas | 217.94 | J/mol×K | 636.97 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzenethiol, pentafluoro-.
Sources
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