- InChI
- InChI=1S/C9H7F3O2/c10-9(11,12)7-3-1-6(2-4-7)5-8(13)14/h1-4H,5H2,(H,13,14)
- InChI Key
- HNORVZDAANCHAY-UHFFFAOYSA-N
- Formula
- C9H7F3O2
- SMILES
- O=C(O)Cc1ccc(C(F)(F)F)cc1
- Molecular Weight1
- 204.15
- CAS
- 32857-62-8
- Other Names
-
- 4-Trifluoromethylphenylacetic acid
- p-Trifluoromethylphenylacetic acid
- Benzeneacetic acid, 4-(trifluoromethyl)-
- («alpha»,«alpha»,«alpha»-trifluoro-4-tolyl)acetic acid
- 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 | 0.6802 | Relay (1.0) Calculated Property | |
| ΔfG° | -719.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -980.29 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.32 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.35 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.19 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.333 | Crippen Calculated Property | |
| McVol | 126.660 | ml/mol | McGowan Calculated Property |
| Pc | 3352.86 | kPa | Joback Calculated Property |
| Tboil | 514.01 | K | Relay (1.0) Calculated Property |
| Tc | 717.11 | K | Relay (1.0) Calculated Property |
| Tfus | 383.21 | K | Relay (1.0) Calculated Property |
| Vc | 0.449 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [308.99; 356.17] | J/mol×K | [577.61; 765.80] | 
|
| Cp,gas | 308.99 | J/mol×K | 577.61 | Joback Calculated Property |
| Cp,gas | 318.33 | J/mol×K | 608.98 | Joback Calculated Property |
| Cp,gas | 327.03 | J/mol×K | 640.34 | Joback Calculated Property |
| Cp,gas | 335.13 | J/mol×K | 671.71 | Joback Calculated Property |
| Cp,gas | 342.67 | J/mol×K | 703.07 | Joback Calculated Property |
| Cp,gas | 349.67 | J/mol×K | 734.44 | Joback Calculated Property |
| Cp,gas | 356.17 | J/mol×K | 765.80 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to («alpha»,«alpha»,«alpha»-Trifluoro-p-tolyl)-acetic acid.
Sources
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