- InChI
- InChI=1S/C8H7F3S/c9-8(10,11)7-3-1-2-6(4-7)5-12/h1-4,12H,5H2
- InChI Key
- CQIQWIMXCPTQPJ-UHFFFAOYSA-N
- Formula
- C8H7F3S
- SMILES
- FC(F)(F)c1cccc(CS)c1
- Molecular Weight1
- 192.20
- CAS
- 25697-55-6
- Other Names
-
- 3-Trifluoromethylbenzyl mercaptan
- 3-Trifluoromethyl benzylthiol
- 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 | 0.4241 | Relay (1.0) Calculated Property | |
| ΔfG° | -432.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -595.76 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.51 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.32 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.37 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.135 | Crippen Calculated Property | |
| McVol | 121.480 | ml/mol | McGowan Calculated Property |
| Pc | 3372.36 | kPa | Joback Calculated Property |
| Tboil | 456.42 | K | Relay (1.0) Calculated Property |
| Tc | 674.15 | K | Relay (1.0) Calculated Property |
| Tfus | 260.58 | K | Relay (1.0) Calculated Property |
| Vc | 0.425 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [249.62; 309.41] | J/mol×K | [471.54; 685.52] | 
|
| Cp,gas | 249.62 | J/mol×K | 471.54 | Joback Calculated Property |
| Cp,gas | 261.63 | J/mol×K | 507.20 | Joback Calculated Property |
| Cp,gas | 272.75 | J/mol×K | 542.87 | Joback Calculated Property |
| Cp,gas | 283.04 | J/mol×K | 578.53 | Joback Calculated Property |
| Cp,gas | 292.55 | J/mol×K | 614.20 | Joback Calculated Property |
| Cp,gas | 301.32 | J/mol×K | 649.86 | Joback Calculated Property |
| Cp,gas | 309.41 | J/mol×K | 685.52 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to m-Trifluoromethylbenzyl mercaptan.
Sources
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