- InChI
- InChI=1S/C16H5F11O2/c17-9-7(10(18)12(20)13(21)11(9)19)4-29-14(28)6-3-5(15(22,23)24)1-2-8(6)16(25,26)27/h1-3H,4H2
- InChI Key
- YAISAQIUKATIQO-UHFFFAOYSA-N
- Formula
- C16H5F11O2
- SMILES
-
O=C(OCc1c(F)c(F)c(F)c(F)c1F)c1
cc(C(F)(F)F)ccc1C(F)(F)F - Molecular Weight1
- 438.19
- 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° | -2129.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2400.31 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 44.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.97 | kJ/mol | Joback Calculated Property |
| log10WS | -7.69 | Crippen Calculated Property | |
| logPoct/wat | 5.777 | Crippen Calculated Property | |
| McVol | 215.690 | ml/mol | McGowan Calculated Property |
| Pc | 1470.23 | kPa | Joback Calculated Property |
| Inp | 1546.00 | NIST | |
| Tboil | 715.50 | K | Joback Calculated Property |
| Tc | 891.69 | K | Joback Calculated Property |
| Tfus | 494.05 | K | Joback Calculated Property |
| Vc | 0.915 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [603.91; 653.83] | J/mol×K | [715.50; 891.69] | 
|
| Cp,gas | 603.91 | J/mol×K | 715.50 | Joback Calculated Property |
| Cp,gas | 613.82 | J/mol×K | 744.87 | Joback Calculated Property |
| Cp,gas | 623.06 | J/mol×K | 774.23 | Joback Calculated Property |
| Cp,gas | 631.65 | J/mol×K | 803.60 | Joback Calculated Property |
| Cp,gas | 639.62 | J/mol×K | 832.96 | Joback Calculated Property |
| Cp,gas | 647.00 | J/mol×K | 862.33 | Joback Calculated Property |
| Cp,gas | 653.83 | J/mol×K | 891.69 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,5-Di(trifluoromethyl)benzoic acid, pentafluorobenzyl ester.
Sources
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