- InChI
- InChI=1S/C12H10F6O3/c1-20-4-5-21-10(19)8-6-7(11(13,14)15)2-3-9(8)12(16,17)18/h2-3,6H,4-5H2,1H3
- InChI Key
- IPNKALWCIHQLKD-UHFFFAOYSA-N
- Formula
- C12H10F6O3
- SMILES
-
COCCOC(=O)c1cc(C(F)(F)F)ccc1C(
F)(F)F - Molecular Weight1
- 316.20
- 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° | -1358.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1648.60 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.98 | kJ/mol | Joback Calculated Property |
| log10WS | -3.85 | Crippen Calculated Property | |
| logPoct/wat | 3.527 | Crippen Calculated Property | |
| McVol | 180.110 | ml/mol | McGowan Calculated Property |
| Pc | 1937.24 | kPa | Joback Calculated Property |
| Inp | 1286.00 | NIST | |
| Tboil | 598.47 | K | Joback Calculated Property |
| Tc | 775.15 | K | Joback Calculated Property |
| Tfus | 379.23 | K | Joback Calculated Property |
| Vc | 0.728 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [474.34; 536.35] | J/mol×K | [598.47; 775.15] | 
|
| Cp,gas | 474.34 | J/mol×K | 598.47 | Joback Calculated Property |
| Cp,gas | 486.39 | J/mol×K | 627.92 | Joback Calculated Property |
| Cp,gas | 497.72 | J/mol×K | 657.36 | Joback Calculated Property |
| Cp,gas | 508.35 | J/mol×K | 686.81 | Joback Calculated Property |
| Cp,gas | 518.32 | J/mol×K | 716.25 | Joback Calculated Property |
| Cp,gas | 527.65 | J/mol×K | 745.70 | Joback Calculated Property |
| Cp,gas | 536.35 | J/mol×K | 775.15 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,5-Di(trifluoromethyl)benzoic acid, 2-methoxyethyl ester.
Sources
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