- InChI
- InChI=1S/C6H5FS/c7-5-2-1-3-6(8)4-5/h1-4,8H
- InChI Key
- ZDEUGINAVLMAET-UHFFFAOYSA-N
- Formula
- C6H5FS
- SMILES
- Fc1cccc(S)c1
- Molecular Weight1
- 128.17
- CAS
- 2557-77-9
- Other Names
-
- Benzenethiol, 3-fluoro-
- m-fluorobenzenethiol
- 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 | 0.2927 | Relay (1.0) Calculated Property | |
| ΔfG° | -63.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -111.34 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 12.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.07 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.68 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.04 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.114 | Crippen Calculated Property | |
| McVol | 89.760 | ml/mol | McGowan Calculated Property |
| Pc | 4697.74 | kPa | Joback Calculated Property |
| Tboil | 430.21 | K | Relay (1.0) Calculated Property |
| Tc | 668.57 | K | Relay (1.0) Calculated Property |
| Tfus | 251.14 | K | Relay (1.0) Calculated Property |
| Vc | 0.310 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [152.19; 199.74] | J/mol×K | [430.47; 661.00] | 
|
| Cp,gas | 152.19 | J/mol×K | 430.47 | Joback Calculated Property |
| Cp,gas | 161.54 | J/mol×K | 468.89 | Joback Calculated Property |
| Cp,gas | 170.29 | J/mol×K | 507.31 | Joback Calculated Property |
| Cp,gas | 178.46 | J/mol×K | 545.74 | Joback Calculated Property |
| Cp,gas | 186.08 | J/mol×K | 584.16 | Joback Calculated Property |
| Cp,gas | 193.16 | J/mol×K | 622.58 | Joback Calculated Property |
| Cp,gas | 199.74 | J/mol×K | 661.00 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to m-Fluorothiophenol.
Sources
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