- InChI
- InChI=1S/C15H11F3O3/c1-21-11-5-6-12(13(19)8-11)14(20)9-3-2-4-10(7-9)15(16,17)18/h2-8,19H,1H3
- InChI Key
- UGWUGCNBORFSDF-UHFFFAOYSA-N
- Formula
- C15H11F3O3
- SMILES
-
COc1ccc(C(=O)c2cccc(C(F)(F)F)c
2)c(O)c1 - Molecular Weight1
- 296.24
- CAS
- 7396-89-6
- 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).
- ΔsubH : Enthalpy of sublimation at a given temperature (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).
- 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° | -689.15 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -922.00 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.28 | kJ/mol | Joback Calculated Property |
| log10WS | -4.20 | Crippen Calculated Property | |
| logPoct/wat | 3.651 | Crippen Calculated Property | |
| McVol | 193.310 | ml/mol | McGowan Calculated Property |
| Pc | 2637.96 | kPa | Joback Calculated Property |
| Tboil | 757.41 | K | Joback Calculated Property |
| Tc | 986.09 | K | Joback Calculated Property |
| Tfus | 524.76 | K | Joback Calculated Property |
| Vc | 0.693 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [539.51; 599.61] | J/mol×K | [757.41; 986.09] | 
|
| Cp,gas | 539.51 | J/mol×K | 757.41 | Joback Calculated Property |
| Cp,gas | 551.26 | J/mol×K | 795.52 | Joback Calculated Property |
| Cp,gas | 562.18 | J/mol×K | 833.64 | Joback Calculated Property |
| Cp,gas | 572.36 | J/mol×K | 871.75 | Joback Calculated Property |
| Cp,gas | 581.92 | J/mol×K | 909.86 | Joback Calculated Property |
| Cp,gas | 590.97 | J/mol×K | 947.97 | Joback Calculated Property |
| Cp,gas | 599.61 | J/mol×K | 986.09 | Joback Calculated Property |
| ΔsubH | 103.80 | kJ/mol | 318.00 | NIST |
Similar Compounds
Find more compounds similar to 2-Hydroxy-3'-trifluoromethyl-4-methoxybenzophenone.
Sources
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