- InChI
- InChI=1S/C9H7F3O/c1-6-2-4-7(5-3-6)8(13)9(10,11)12/h2-5H,1H3
- InChI Key
- DYILUJUELMWXAL-UHFFFAOYSA-N
- Formula
- C9H7F3O
- SMILES
- Cc1ccc(C(=O)C(F)(F)F)cc1
- Molecular Weight1
- 188.15
- CAS
- 394-59-2
- 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° | -582.83 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -713.69 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.56 | kJ/mol | Joback Calculated Property |
| log10WS | -3.27 | Crippen Calculated Property | |
| logPoct/wat | 2.740 | Crippen Calculated Property | |
| McVol | 120.790 | ml/mol | McGowan Calculated Property |
| Pc | 3022.28 | kPa | Joback Calculated Property |
| Tboil | 485.43 | K | Joback Calculated Property |
| Tc | 685.09 | K | Joback Calculated Property |
| Tfus | 284.25 | K | Joback Calculated Property |
| Vc | 0.480 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [261.80; 320.96] | J/mol×K | [485.43; 685.09] | 
|
| Cp,gas | 261.80 | J/mol×K | 485.43 | Joback Calculated Property |
| Cp,gas | 273.51 | J/mol×K | 518.71 | Joback Calculated Property |
| Cp,gas | 284.43 | J/mol×K | 551.98 | Joback Calculated Property |
| Cp,gas | 294.60 | J/mol×K | 585.26 | Joback Calculated Property |
| Cp,gas | 304.05 | J/mol×K | 618.54 | Joback Calculated Property |
| Cp,gas | 312.82 | J/mol×K | 651.81 | Joback Calculated Property |
| Cp,gas | 320.96 | J/mol×K | 685.09 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-(Trifluoroacetyl)toluene.
Sources
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