- InChI
- InChI=1S/C8H7F3S/c1-12-7-5-3-2-4-6(7)8(9,10)11/h2-5H,1H3
- InChI Key
- DZBNBTCLFBOHJR-UHFFFAOYSA-N
- Formula
- C8H7F3S
- SMILES
- CSc1ccccc1C(F)(F)F
- Molecular Weight1
- 192.20
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.3275 | Relay (1.0) Calculated Property | |
| ΔfG° | -429.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -592.22 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.49 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.84 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.70 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.427 | Crippen Calculated Property | |
| McVol | 121.480 | ml/mol | McGowan Calculated Property |
| Pc | 3195.54 | kPa | Joback Calculated Property |
| Inp | 1152.10 | NIST | |
| Tboil | 457.67 | K | Relay (1.0) Calculated Property |
| Tc | 639.47 | K | Relay (1.0) Calculated Property |
| Tfus | 242.99 | K | Relay (1.0) Calculated Property |
| Vc | 0.427 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [251.34; 311.57] | J/mol×K | [477.46; 691.26] | 
|
| Cp,gas | 251.34 | J/mol×K | 477.46 | Joback Calculated Property |
| Cp,gas | 263.35 | J/mol×K | 513.09 | Joback Calculated Property |
| Cp,gas | 274.52 | J/mol×K | 548.73 | Joback Calculated Property |
| Cp,gas | 284.89 | J/mol×K | 584.36 | Joback Calculated Property |
| Cp,gas | 294.49 | J/mol×K | 619.99 | Joback Calculated Property |
| Cp,gas | 303.37 | J/mol×K | 655.63 | Joback Calculated Property |
| Cp,gas | 311.57 | J/mol×K | 691.26 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-(Trifluoromethyl)thiophenol, S-methyl-.
Sources
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