- InChI
- InChI=1S/C16H10F6O2/c1-9-3-2-4-11(7-9)24-14(23)12-8-10(15(17,18)19)5-6-13(12)16(20,21)22/h2-8H,1H3
- InChI Key
- KMOKEJLRHGESTA-UHFFFAOYSA-N
- Formula
- C16H10F6O2
- SMILES
-
Cc1cccc(OC(=O)c2cc(C(F)(F)F)cc
c2C(F)(F)F)c1 - Molecular Weight1
- 348.24
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.7014 | Relay (... Calculated Property | |
| ΔfG° | -1117.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1478.36 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 30.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.66 | kJ/mol | Relay (... Calculated Property |
| IE | 8.79 | eV | Relay (... Calculated Property |
| log10WS | -6.01 | Relay (... Calculated Property | |
| logPoct/wat | 5.252 | Crippen Calculated Property | |
| McVol | 206.840 | ml/mol | McGowan Calculated Property |
| Pc | 1853.11 | kPa | Joback Calculated Property |
| Inp | 1635.00 | NIST | |
| Tboil | 580.25 | K | Relay (... Calculated Property |
| Tc | 830.09 | K | Relay (... Calculated Property |
| Tfus | 352.75 | K | Relay (... Calculated Property |
| Vc | 0.776 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [569.10; 631.09] | J/mol×K | [699.23; 902.34] | 
|
| Cp,gas | 569.10 | J/mol×K | 699.23 | Joback Calculated Property |
| Cp,gas | 581.67 | J/mol×K | 733.08 | Joback Calculated Property |
| Cp,gas | 593.27 | J/mol×K | 766.93 | Joback Calculated Property |
| Cp,gas | 603.95 | J/mol×K | 800.79 | Joback Calculated Property |
| Cp,gas | 613.77 | J/mol×K | 834.64 | Joback Calculated Property |
| Cp,gas | 622.79 | J/mol×K | 868.49 | Joback Calculated Property |
| Cp,gas | 631.09 | J/mol×K | 902.34 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,5-Di(trifluoromethyl)benzoic acid, 3-methylphenyl ester.
Sources
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