- InChI
- InChI=1S/C8H4F4O2/c9-6-2-1-4(7(13)14)3-5(6)8(10,11)12/h1-3H,(H,13,14)
- InChI Key
- WZBPZYCJUADXRS-UHFFFAOYSA-N
- Formula
- C8H4F4O2
- SMILES
- O=C(O)c1ccc(F)c(C(F)(F)F)c1
- Molecular Weight1
- 208.11
- CAS
- 67515-55-3
- 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 | 0.6836 | Relay (1.0) Calculated Property | |
| ΔfG° | -932.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1151.74 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.17 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.07 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.63 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.543 | Crippen Calculated Property | |
| McVol | 114.340 | ml/mol | McGowan Calculated Property |
| Pc | 3497.14 | kPa | Joback Calculated Property |
| Tboil | 498.03 | K | Relay (1.0) Calculated Property |
| Tc | 692.22 | K | Relay (1.0) Calculated Property |
| Tfus | 378.61 | K | Relay (1.0) Calculated Property |
| Vc | 0.410 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [272.03; 311.77] | J/mol×K | [558.98; 741.94] | 
|
| Cp,gas | 272.03 | J/mol×K | 558.98 | Joback Calculated Property |
| Cp,gas | 279.89 | J/mol×K | 589.47 | Joback Calculated Property |
| Cp,gas | 287.21 | J/mol×K | 619.97 | Joback Calculated Property |
| Cp,gas | 294.04 | J/mol×K | 650.46 | Joback Calculated Property |
| Cp,gas | 300.39 | J/mol×K | 680.95 | Joback Calculated Property |
| Cp,gas | 306.29 | J/mol×K | 711.45 | Joback Calculated Property |
| Cp,gas | 311.77 | J/mol×K | 741.94 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Fluoro-3-(trifluomethyl)benzoic acid.
Sources
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