- InChI
- InChI=1S/C13H13F6NO2/c1-20(2)5-6-22-11(21)9-7-8(12(14,15)16)3-4-10(9)13(17,18)19/h3-4,7H,5-6H2,1-2H3
- InChI Key
- QSHYNHMMXCRJID-UHFFFAOYSA-N
- Formula
- C13H13F6NO2
- SMILES
-
CN(C)CCOC(=O)c1cc(C(F)(F)F)ccc
1C(F)(F)F - Molecular Weight1
- 329.24
- 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° | -1134.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1469.49 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.84 | kJ/mol | Joback Calculated Property |
| log10WS | -3.75 | Crippen Calculated Property | |
| logPoct/wat | 3.443 | Crippen Calculated Property | |
| McVol | 198.310 | ml/mol | McGowan Calculated Property |
| Pc | 1806.16 | kPa | Joback Calculated Property |
| Inp | 1420.00 | NIST | |
| Tboil | 611.37 | K | Joback Calculated Property |
| Tc | 785.94 | K | Joback Calculated Property |
| Tfus | 400.74 | K | Joback Calculated Property |
| Vc | 0.783 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [534.97; 602.84] | J/mol×K | [611.37; 785.94] | 
|
| Cp,gas | 534.97 | J/mol×K | 611.37 | Joback Calculated Property |
| Cp,gas | 548.20 | J/mol×K | 640.47 | Joback Calculated Property |
| Cp,gas | 560.62 | J/mol×K | 669.56 | Joback Calculated Property |
| Cp,gas | 572.25 | J/mol×K | 698.66 | Joback Calculated Property |
| Cp,gas | 583.14 | J/mol×K | 727.75 | Joback Calculated Property |
| Cp,gas | 593.32 | J/mol×K | 756.85 | Joback Calculated Property |
| Cp,gas | 602.84 | J/mol×K | 785.94 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,5-Di(trifluoromethyl)benzoic acid, 2-(dimethylamino)ethyl ester.
Sources
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