- InChI
- InChI=1S/C15H6F8O2/c16-8-4-9(17)6-10(5-8)25-13(24)11-3-7(14(18,19)20)1-2-12(11)15(21,22)23/h1-6H
- InChI Key
- MHPYEKPHFUYZRP-UHFFFAOYSA-N
- Formula
- C15H6F8O2
- SMILES
-
O=C(Oc1cc(F)cc(F)c1)c1cc(C(F)(
F)F)ccc1C(F)(F)F - Molecular Weight1
- 370.19
- 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 | 0.7159 | Relay (... Calculated Property | |
| ΔfG° | -1525.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1813.40 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 33.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.04 | kJ/mol | Relay (... Calculated Property |
| IE | 9.37 | eV | Relay (... Calculated Property |
| log10WS | -6.78 | Relay (... Calculated Property | |
| logPoct/wat | 5.222 | Crippen Calculated Property | |
| McVol | 196.290 | ml/mol | McGowan Calculated Property |
| Pc | 1838.84 | kPa | Joback Calculated Property |
| Inp | 1471.00 | NIST | |
| Tboil | 551.28 | K | Relay (... Calculated Property |
| Tc | 798.63 | K | Relay (... Calculated Property |
| Tfus | 362.37 | K | Relay (... Calculated Property |
| Vc | 0.750 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [532.74; 587.13] | J/mol×K | [679.87; 871.05] | 
|
| Cp,gas | 532.74 | J/mol×K | 679.87 | Joback Calculated Property |
| Cp,gas | 543.74 | J/mol×K | 711.73 | Joback Calculated Property |
| Cp,gas | 553.90 | J/mol×K | 743.60 | Joback Calculated Property |
| Cp,gas | 563.28 | J/mol×K | 775.46 | Joback Calculated Property |
| Cp,gas | 571.91 | J/mol×K | 807.32 | Joback Calculated Property |
| Cp,gas | 579.84 | J/mol×K | 839.19 | Joback Calculated Property |
| Cp,gas | 587.13 | J/mol×K | 871.05 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,5-Di(trifluoromethyl)benzoic acid, 3,5-difluophenyl ester.
Sources
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