- InChI
- InChI=1S/C12H11F3O2/c1-7(2)5-6-17-12(16)8-3-4-9(13)11(15)10(8)14/h3-5H,6H2,1-2H3
- InChI Key
- DIFDSKYIZZPOQX-UHFFFAOYSA-N
- Formula
- C12H11F3O2
- SMILES
- CC(C)=CCOC(=O)c1ccc(F)c(F)c1F
- Molecular Weight1
- 244.21
- 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° | -613.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -814.59 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.31 | kJ/mol | Joback Calculated Property |
| log10WS | -4.24 | Crippen Calculated Property | |
| logPoct/wat | 3.227 | Crippen Calculated Property | |
| McVol | 164.630 | ml/mol | McGowan Calculated Property |
| Pc | 2233.41 | kPa | Joback Calculated Property |
| Inp | 1462.10 | NIST | |
| Tboil | 593.72 | K | Joback Calculated Property |
| Tc | 786.64 | K | Joback Calculated Property |
| Tfus | 343.87 | K | Joback Calculated Property |
| Vc | 0.658 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [397.11; 460.92] | J/mol×K | [593.72; 786.64] | 
|
| Cp,gas | 397.11 | J/mol×K | 593.72 | Joback Calculated Property |
| Cp,gas | 409.27 | J/mol×K | 625.87 | Joback Calculated Property |
| Cp,gas | 420.80 | J/mol×K | 658.03 | Joback Calculated Property |
| Cp,gas | 431.71 | J/mol×K | 690.18 | Joback Calculated Property |
| Cp,gas | 442.02 | J/mol×K | 722.33 | Joback Calculated Property |
| Cp,gas | 451.75 | J/mol×K | 754.49 | Joback Calculated Property |
| Cp,gas | 460.92 | J/mol×K | 786.64 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,3,4-Trifluorobenzoic acid, 3-methylbut-2-enyl ester.
Sources
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