- InChI
- InChI=1S/C7H7FS/c8-7-3-1-6(5-9)2-4-7/h1-4,9H,5H2
- InChI Key
- RKTRHMNWVZRZJQ-UHFFFAOYSA-N
- Formula
- C7H7FS
- SMILES
- Fc1ccc(CS)cc1
- Molecular Weight1
- 142.19
- CAS
- 15894-04-9
- Other Names
-
- Benzenemethanethiol, 4-fluoro-
- p-fluorotoluene-«alpha»-thiol
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -54.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -120.38 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 40.03 | kJ/mol | Joback Calculated Property |
| log10WS | -2.75 | Crippen Calculated Property | |
| logPoct/wat | 2.256 | Crippen Calculated Property | |
| McVol | 103.850 | ml/mol | McGowan Calculated Property |
| Pc | 4135.61 | kPa | Joback Calculated Property |
| Tboil | 453.35 | K | Joback Calculated Property |
| Tc | 680.44 | K | Joback Calculated Property |
| Tfus | 244.64 | K | Joback Calculated Property |
| Vc | 0.392 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [189.92; 245.18] | J/mol×K | [453.35; 680.44] | 
|
| Cp,gas | 189.92 | J/mol×K | 453.35 | Joback Calculated Property |
| Cp,gas | 200.73 | J/mol×K | 491.20 | Joback Calculated Property |
| Cp,gas | 210.87 | J/mol×K | 529.05 | Joback Calculated Property |
| Cp,gas | 220.35 | J/mol×K | 566.89 | Joback Calculated Property |
| Cp,gas | 229.22 | J/mol×K | 604.74 | Joback Calculated Property |
| Cp,gas | 237.48 | J/mol×K | 642.59 | Joback Calculated Property |
| Cp,gas | 245.18 | J/mol×K | 680.44 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Fluorobenzyl mercaptan.
Sources
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