- InChI
- InChI=1S/C8H5F3O3/c9-8(10,11)14-6-3-1-2-5(4-6)7(12)13/h1-4H,(H,12,13)
- InChI Key
- OKPFIWIMBJNFSE-UHFFFAOYSA-N
- Formula
- C8H5F3O3
- SMILES
- O=C(O)c1cccc(OC(F)(F)F)c1
- Molecular Weight1
- 206.12
- Other Names
-
- 3-(trifluoromethoxy)benzoic acid
- Benzoic acid, 3-(trifluoromethoxy)-
- 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 | 0.7082 | Relay (1.0) Calculated Property | |
| ΔfG° | -911.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1117.71 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.18 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.95 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.71 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.283 | Crippen Calculated Property | |
| McVol | 118.440 | ml/mol | McGowan Calculated Property |
| Pc | 3403.91 | kPa | Joback Calculated Property |
| Tboil | 499.09 | K | Relay (1.0) Calculated Property |
| Tc | 683.06 | K | Relay (1.0) Calculated Property |
| Tfus | 327.50 | K | Relay (1.0) Calculated Property |
| Vc | 0.434 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [288.89; 334.45] | J/mol×K | [576.81; 784.28] | 
|
| Cp,gas | 288.89 | J/mol×K | 576.81 | Joback Calculated Property |
| Cp,gas | 298.09 | J/mol×K | 611.39 | Joback Calculated Property |
| Cp,gas | 306.60 | J/mol×K | 645.97 | Joback Calculated Property |
| Cp,gas | 314.46 | J/mol×K | 680.54 | Joback Calculated Property |
| Cp,gas | 321.69 | J/mol×K | 715.12 | Joback Calculated Property |
| Cp,gas | 328.34 | J/mol×K | 749.70 | Joback Calculated Property |
| Cp,gas | 334.45 | J/mol×K | 784.28 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-(Trifluoromethoxy)benzoic acid.
Sources
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