- InChI
- InChI=1S/C8H6F3NS/c9-8(10,11)6-3-1-5(2-4-6)7(12)13/h1-4H,(H2,12,13)
- InChI Key
- IPRFNMJROWWFBH-UHFFFAOYSA-N
- Formula
- C8H6F3NS
- SMILES
- NC(=S)c1ccc(C(F)(F)F)cc1
- Molecular Weight1
- 205.20
- CAS
- 72505-21-6
- 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° | -278.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -400.18 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.96 | kJ/mol | Joback Calculated Property |
| log10WS | -3.35 | Crippen Calculated Property | |
| logPoct/wat | 2.340 | Crippen Calculated Property | |
| McVol | 127.160 | ml/mol | McGowan Calculated Property |
| Pc | 3731.66 | kPa | Joback Calculated Property |
| Tboil | 551.25 | K | Joback Calculated Property |
| Tc | 781.05 | K | Joback Calculated Property |
| Tfus | 340.58 | K | Joback Calculated Property |
| Vc | 0.483 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [285.65; 334.50] | J/mol×K | [551.25; 781.05] | 
|
| Cp,gas | 285.65 | J/mol×K | 551.25 | Joback Calculated Property |
| Cp,gas | 295.94 | J/mol×K | 589.55 | Joback Calculated Property |
| Cp,gas | 305.23 | J/mol×K | 627.85 | Joback Calculated Property |
| Cp,gas | 313.64 | J/mol×K | 666.15 | Joback Calculated Property |
| Cp,gas | 321.26 | J/mol×K | 704.45 | Joback Calculated Property |
| Cp,gas | 328.18 | J/mol×K | 742.75 | Joback Calculated Property |
| Cp,gas | 334.50 | J/mol×K | 781.05 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-(Trifluoromethyl)thiobenzamide.
Sources
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