- InChI
- InChI=1S/C10H6Cl3F3O2/c11-9(12,13)5-18-8(17)6-2-1-3-7(4-6)10(14,15)16/h1-4H,5H2
- InChI Key
- JCHPKZAJAAOACB-UHFFFAOYSA-N
- Formula
- C10H6Cl3F3O2
- SMILES
-
O=C(OCC(Cl)(Cl)Cl)c1cccc(C(F)(
F)F)c1 - Molecular Weight1
- 321.51
- 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).
- Inp : Non-polar retention indices.
- 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° | -712.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -922.52 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.06 | kJ/mol | Joback Calculated Property |
| log10WS | -4.80 | Crippen Calculated Property | |
| logPoct/wat | 4.232 | Crippen Calculated Property | |
| McVol | 177.470 | ml/mol | McGowan Calculated Property |
| Pc | 2441.06 | kPa | Joback Calculated Property |
| Inp | 1539.00 | NIST | |
| Tboil | 639.79 | K | Joback Calculated Property |
| Tc | 859.54 | K | Joback Calculated Property |
| Tfus | 409.93 | K | Joback Calculated Property |
| Vc | 0.691 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [404.85; 451.74] | J/mol×K | [639.79; 859.54] | 
|
| Cp,gas | 404.85 | J/mol×K | 639.79 | Joback Calculated Property |
| Cp,gas | 414.70 | J/mol×K | 676.42 | Joback Calculated Property |
| Cp,gas | 423.64 | J/mol×K | 713.04 | Joback Calculated Property |
| Cp,gas | 431.75 | J/mol×K | 749.67 | Joback Calculated Property |
| Cp,gas | 439.09 | J/mol×K | 786.29 | Joback Calculated Property |
| Cp,gas | 445.73 | J/mol×K | 822.92 | Joback Calculated Property |
| Cp,gas | 451.74 | J/mol×K | 859.54 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Trifluoromethylbenzoic acid, 2,2,2-trichloroethyl ester.
Sources
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