- InChI
- InChI=1S/C8H5F3O3/c9-8(10,11)14-6-3-1-5(2-4-6)7(12)13/h1-4H,(H,12,13)
- InChI Key
- RATSANVPHHXDCT-UHFFFAOYSA-N
- Formula
- C8H5F3O3
- SMILES
- O=C(O)c1ccc(OC(F)(F)F)cc1
- Molecular Weight1
- 206.12
- CAS
- 330-12-1
- Other Names
-
- p-Trifluoromethoxybenzoic acid
- p-Carboxyphenyl trifluoromethyl ether
- Benzoic acid, 4-(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 | 0.7148 | Relay (1.0) Calculated Property | |
| ΔfG° | -833.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1125.18 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.12 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.88 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.86 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.283 | Crippen Calculated Property | |
| McVol | 118.440 | ml/mol | McGowan Calculated Property |
| Pc | 3682.02 | kPa | Joback Calculated Property |
| Tboil | 499.38 | K | Relay (1.0) Calculated Property |
| Tc | 675.99 | K | Relay (1.0) Calculated Property |
| Tfus | 371.13 | K | Relay (1.0) Calculated Property |
| Vc | 0.427 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [286.22; 328.56] | J/mol×K | [577.15; 766.26] | 
|
| Cp,gas | 286.22 | J/mol×K | 577.15 | Joback Calculated Property |
| Cp,gas | 294.59 | J/mol×K | 608.67 | Joback Calculated Property |
| Cp,gas | 302.41 | J/mol×K | 640.19 | Joback Calculated Property |
| Cp,gas | 309.69 | J/mol×K | 671.71 | Joback Calculated Property |
| Cp,gas | 316.46 | J/mol×K | 703.23 | Joback Calculated Property |
| Cp,gas | 322.74 | J/mol×K | 734.74 | Joback Calculated Property |
| Cp,gas | 328.56 | J/mol×K | 766.26 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-(Trifluoromethoxy)benzoic acid.
Sources
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