- InChI
- InChI=1S/C20H26F6O2/c1-2-3-4-5-6-7-8-9-10-13-28-18(27)16-14-15(19(21,22)23)11-12-17(16)20(24,25)26/h11-12,14H,2-10,13H2,1H3
- InChI Key
- JVRQFSNUKYQKMA-UHFFFAOYSA-N
- Formula
- C20H26F6O2
- SMILES
-
CCCCCCCCCCCOC(=O)c1cc(C(F)(F)F
)ccc1C(F)(F)F - Molecular Weight1
- 412.41
- 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° | -1186.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1681.50 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 47.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.38 | kJ/mol | Joback Calculated Property |
| log10WS | -8.11 | Crippen Calculated Property | |
| logPoct/wat | 7.412 | Crippen Calculated Property | |
| McVol | 286.960 | ml/mol | McGowan Calculated Property |
| Pc | 1094.27 | kPa | Joback Calculated Property |
| Inp | 1938.00 | NIST | |
| Tboil | 759.09 | K | Joback Calculated Property |
| Tc | 936.15 | K | Joback Calculated Property |
| Tfus | 447.16 | K | Joback Calculated Property |
| Vc | 1.157 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [874.67; 956.43] | J/mol×K | [759.09; 936.15] | 
|
| Cp,gas | 874.67 | J/mol×K | 759.09 | Joback Calculated Property |
| Cp,gas | 890.42 | J/mol×K | 788.60 | Joback Calculated Property |
| Cp,gas | 905.26 | J/mol×K | 818.11 | Joback Calculated Property |
| Cp,gas | 919.23 | J/mol×K | 847.62 | Joback Calculated Property |
| Cp,gas | 932.38 | J/mol×K | 877.13 | Joback Calculated Property |
| Cp,gas | 944.77 | J/mol×K | 906.64 | Joback Calculated Property |
| Cp,gas | 956.43 | J/mol×K | 936.15 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,5-Di(trifluoromethyl)benzoic acid, undecyl ester.
Sources
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