- InChI
- InChI=1S/C12H13F3O2/c1-3-7(4-2)12(16)17-9-6-5-8(13)10(14)11(9)15/h5-7H,3-4H2,1-2H3
- InChI Key
- ISLHNHIINUYVSB-UHFFFAOYSA-N
- Formula
- C12H13F3O2
- SMILES
- CCC(CC)C(=O)Oc1ccc(F)c(F)c1F
- Molecular Weight1
- 246.23
- 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° | -687.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -927.30 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.89 | kJ/mol | Joback Calculated Property |
| log10WS | -4.21 | Crippen Calculated Property | |
| logPoct/wat | 3.446 | Crippen Calculated Property | |
| McVol | 168.930 | ml/mol | McGowan Calculated Property |
| Pc | 2133.46 | kPa | Joback Calculated Property |
| Inp | 1304.00 | NIST | |
| Tboil | 589.24 | K | Joback Calculated Property |
| Tc | 775.34 | K | Joback Calculated Property |
| Tfus | 347.91 | K | Joback Calculated Property |
| Vc | 0.671 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [417.92; 485.77] | J/mol×K | [589.24; 775.34] | 
|
| Cp,gas | 417.92 | J/mol×K | 589.24 | Joback Calculated Property |
| Cp,gas | 430.73 | J/mol×K | 620.26 | Joback Calculated Property |
| Cp,gas | 442.93 | J/mol×K | 651.27 | Joback Calculated Property |
| Cp,gas | 454.53 | J/mol×K | 682.29 | Joback Calculated Property |
| Cp,gas | 465.53 | J/mol×K | 713.31 | Joback Calculated Property |
| Cp,gas | 475.94 | J/mol×K | 744.33 | Joback Calculated Property |
| Cp,gas | 485.77 | J/mol×K | 775.34 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Ethylbutyric acid, 2,3,4-trifluorophenyl ester.
Sources
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