- InChI
- InChI=1S/C10H6F6O2/c11-9(12,13)6-1-5(3-8(17)18)2-7(4-6)10(14,15)16/h1-2,4H,3H2,(H,17,18)
- InChI Key
- PAWSKKHEEYTXSA-UHFFFAOYSA-N
- Formula
- C10H6F6O2
- SMILES
-
O=C(O)Cc1cc(C(F)(F)F)cc(C(F)(F
)F)c1 - Molecular Weight1
- 272.14
- CAS
- 85068-33-3
- Other Names
-
- 3,5-bis(trifluoromethyl)phenylacetic acid
- 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° | -1302.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1495.11 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.39 | kJ/mol | Joback Calculated Property |
| log10WS | -3.58 | Crippen Calculated Property | |
| logPoct/wat | 3.351 | Crippen Calculated Property | |
| McVol | 146.060 | ml/mol | McGowan Calculated Property |
| Pc | 2619.09 | kPa | Joback Calculated Property |
| Tboil | 600.05 | K | Joback Calculated Property |
| Tc | 774.07 | K | Joback Calculated Property |
| Tfus | 373.05 | K | Joback Calculated Property |
| Vc | 0.599 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [382.29; 427.52] | J/mol×K | [600.05; 774.07] | 
|
| Cp,gas | 382.29 | J/mol×K | 600.05 | Joback Calculated Property |
| Cp,gas | 391.29 | J/mol×K | 629.05 | Joback Calculated Property |
| Cp,gas | 399.65 | J/mol×K | 658.06 | Joback Calculated Property |
| Cp,gas | 407.42 | J/mol×K | 687.06 | Joback Calculated Property |
| Cp,gas | 414.63 | J/mol×K | 716.06 | Joback Calculated Property |
| Cp,gas | 421.32 | J/mol×K | 745.07 | Joback Calculated Property |
| Cp,gas | 427.52 | J/mol×K | 774.07 | Joback Calculated Property |
Similar Compounds
![2-Propanone, 1-[3-(trifluoromethyl)phenyl]-.](data:image/png;base64,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)
Find more compounds similar to Benzeneacetic acid, 3,5-bis(trifluoromethyl)-.
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