- InChI
- InChI=1S/C16H13F3O2/c1-10-6-11(2)8-14(7-10)21-15(20)12-4-3-5-13(9-12)16(17,18)19/h3-9H,1-2H3
- InChI Key
- YSWJEABWVZPVOU-UHFFFAOYSA-N
- Formula
- C16H13F3O2
- SMILES
-
Cc1cc(C)cc(OC(=O)c2cccc(C(F)(F
)F)c2)c1 - Molecular Weight1
- 294.27
- 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° | -535.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -776.80 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.16 | kJ/mol | Joback Calculated Property |
| log10WS | -5.61 | Crippen Calculated Property | |
| logPoct/wat | 4.541 | Crippen Calculated Property | |
| McVol | 201.530 | ml/mol | McGowan Calculated Property |
| Pc | 2053.03 | kPa | Joback Calculated Property |
| Inp | 1786.00 | NIST | |
| Tboil | 704.65 | K | Joback Calculated Property |
| Tc | 922.76 | K | Joback Calculated Property |
| Tfus | 436.83 | K | Joback Calculated Property |
| Vc | 0.782 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [542.50; 611.72] | J/mol×K | [704.65; 922.76] | 
|
| Cp,gas | 542.50 | J/mol×K | 704.65 | Joback Calculated Property |
| Cp,gas | 556.50 | J/mol×K | 741.00 | Joback Calculated Property |
| Cp,gas | 569.44 | J/mol×K | 777.35 | Joback Calculated Property |
| Cp,gas | 581.38 | J/mol×K | 813.71 | Joback Calculated Property |
| Cp,gas | 592.37 | J/mol×K | 850.06 | Joback Calculated Property |
| Cp,gas | 602.47 | J/mol×K | 886.41 | Joback Calculated Property |
| Cp,gas | 611.72 | J/mol×K | 922.76 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Trifluoromethylbenzoic acid, 3,5-dimethylphenyl ester.
Sources
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