- InChI
- InChI=1S/C8H8F3NO2S/c9-8(10,11)15(13,14)12-6-7-4-2-1-3-5-7/h1-5,12H,6H2
- InChI Key
- IJHVVEQTOXFGCL-UHFFFAOYSA-N
- Formula
- C8H8F3NO2S
- SMILES
- O=S(=O)(NCc1ccccc1)C(F)(F)F
- Molecular Weight1
- 239.22
- CAS
- 36457-58-6
- 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 | 0.4657 | Relay (1.0) Calculated Property | |
| ΔfG° | -831.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -806.79 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.79 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.64 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.79 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.626 | Crippen Calculated Property | |
| McVol | 143.200 | ml/mol | McGowan Calculated Property |
| Pc | 3891.64 | kPa | Joback Calculated Property |
| Tboil | 498.03 | K | Relay (1.0) Calculated Property |
| Tc | 706.65 | K | Relay (1.0) Calculated Property |
| Tfus | 339.29 | K | Relay (1.0) Calculated Property |
| Vc | 0.504 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [322.71; 386.85] | J/mol×K | [501.65; 689.25] | 
|
| Cp,gas | 322.71 | J/mol×K | 501.65 | Joback Calculated Property |
| Cp,gas | 335.34 | J/mol×K | 532.92 | Joback Calculated Property |
| Cp,gas | 347.15 | J/mol×K | 564.18 | Joback Calculated Property |
| Cp,gas | 358.18 | J/mol×K | 595.45 | Joback Calculated Property |
| Cp,gas | 368.46 | J/mol×K | 626.71 | Joback Calculated Property |
| Cp,gas | 378.01 | J/mol×K | 657.98 | Joback Calculated Property |
| Cp,gas | 386.85 | J/mol×K | 689.25 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to N-benzyl-1,1,1-trifluoromethanesulphonamide.
Sources
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