- InChI
- InChI=1S/C8H5F4NO/c9-6-2-1-4(7(13)14)3-5(6)8(10,11)12/h1-3H,(H2,13,14)
- InChI Key
- UUOVPAFAXSKGMP-UHFFFAOYSA-N
- Formula
- C8H5F4NO
- SMILES
- NC(=O)c1ccc(F)c(C(F)(F)F)c1
- Molecular Weight1
- 207.12
- CAS
- 67515-57-5
- 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° | -729.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -866.84 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.83 | kJ/mol | Joback Calculated Property |
| log10WS | -3.08 | Crippen Calculated Property | |
| logPoct/wat | 1.943 | Crippen Calculated Property | |
| McVol | 118.450 | ml/mol | McGowan Calculated Property |
| Pc | 3356.75 | kPa | Joback Calculated Property |
| Tboil | 539.33 | K | Joback Calculated Property |
| Tc | 743.04 | K | Joback Calculated Property |
| Tfus | 369.35 | K | Joback Calculated Property |
| Vc | 0.471 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [279.33; 327.21] | J/mol×K | [539.33; 743.04] | 
|
| Cp,gas | 279.33 | J/mol×K | 539.33 | Joback Calculated Property |
| Cp,gas | 288.93 | J/mol×K | 573.28 | Joback Calculated Property |
| Cp,gas | 297.83 | J/mol×K | 607.23 | Joback Calculated Property |
| Cp,gas | 306.08 | J/mol×K | 641.18 | Joback Calculated Property |
| Cp,gas | 313.70 | J/mol×K | 675.14 | Joback Calculated Property |
| Cp,gas | 320.73 | J/mol×K | 709.09 | Joback Calculated Property |
| Cp,gas | 327.21 | J/mol×K | 743.04 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Fluoro-3-(trifluoromethyl)benzamide.
Sources
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