- InChI
- InChI=1S/C11H10F4O2/c1-6(2)17-10(16)7-3-8(11(13,14)15)5-9(12)4-7/h3-6H,1-2H3
- InChI Key
- YVXFIQYKYJHIPC-UHFFFAOYSA-N
- Formula
- C11H10F4O2
- SMILES
-
CC(C)OC(=O)c1cc(F)cc(C(F)(F)F)
c1 - Molecular Weight1
- 250.19
- 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° | -877.87 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1100.05 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.88 | kJ/mol | Joback Calculated Property |
| log10WS | -4.10 | Crippen Calculated Property | |
| logPoct/wat | 3.410 | Crippen Calculated Property | |
| McVol | 156.610 | ml/mol | McGowan Calculated Property |
| Pc | 2311.39 | kPa | Joback Calculated Property |
| Inp | 1132.00 | NIST | |
| Tboil | 557.42 | K | Joback Calculated Property |
| Tc | 746.37 | K | Joback Calculated Property |
| Tfus | 327.13 | K | Joback Calculated Property |
| Vc | 0.623 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [382.55; 446.78] | J/mol×K | [557.42; 746.37] | 
|
| Cp,gas | 382.55 | J/mol×K | 557.42 | Joback Calculated Property |
| Cp,gas | 394.97 | J/mol×K | 588.91 | Joback Calculated Property |
| Cp,gas | 406.67 | J/mol×K | 620.40 | Joback Calculated Property |
| Cp,gas | 417.68 | J/mol×K | 651.89 | Joback Calculated Property |
| Cp,gas | 428.02 | J/mol×K | 683.38 | Joback Calculated Property |
| Cp,gas | 437.71 | J/mol×K | 714.87 | Joback Calculated Property |
| Cp,gas | 446.78 | J/mol×K | 746.37 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Fluoro-5-trifluoromethylbenzoic acid, isopropyl ester.
Sources
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