- InChI
- InChI=1S/C15H11F3O2/c1-10-3-2-4-13(9-10)20-14(19)11-5-7-12(8-6-11)15(16,17)18/h2-9H,1H3
- InChI Key
- JWHXDDZSRXZNAN-UHFFFAOYSA-N
- Formula
- C15H11F3O2
- SMILES
-
Cc1cccc(OC(=O)c2ccc(C(F)(F)F)c
c2)c1 - Molecular Weight1
- 280.24
- 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° | -534.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -744.69 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.27 | kJ/mol | Joback Calculated Property |
| log10WS | -5.14 | Crippen Calculated Property | |
| logPoct/wat | 4.233 | Crippen Calculated Property | |
| McVol | 187.440 | ml/mol | McGowan Calculated Property |
| Pc | 2276.24 | kPa | Joback Calculated Property |
| Inp | 1682.00 | NIST | |
| Tboil | 676.79 | K | Joback Calculated Property |
| Tc | 897.71 | K | Joback Calculated Property |
| Tfus | 413.04 | K | Joback Calculated Property |
| Vc | 0.727 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [491.84; 559.37] | J/mol×K | [676.79; 897.71] | 
|
| Cp,gas | 491.84 | J/mol×K | 676.79 | Joback Calculated Property |
| Cp,gas | 505.60 | J/mol×K | 713.61 | Joback Calculated Property |
| Cp,gas | 518.28 | J/mol×K | 750.43 | Joback Calculated Property |
| Cp,gas | 529.94 | J/mol×K | 787.25 | Joback Calculated Property |
| Cp,gas | 540.64 | J/mol×K | 824.07 | Joback Calculated Property |
| Cp,gas | 550.43 | J/mol×K | 860.89 | Joback Calculated Property |
| Cp,gas | 559.37 | J/mol×K | 897.71 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Trifluoromethylbenzoic acid, 3-methylphenyl ester.
Sources
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