- InChI
- InChI=1S/C6H7F3O4/c1-3(2-4(10)11)13-5(12)6(7,8)9/h3H,2H2,1H3,(H,10,11)
- InChI Key
- VOYYDTLQLYVTGM-UHFFFAOYSA-N
- Formula
- C6H7F3O4
- SMILES
- CC(CC(=O)O)OC(=O)C(F)(F)F
- Molecular Weight1
- 200.11
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- IE : Ionization energy (eV).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -1437.79 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.40 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.99 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 0.955 | Crippen Calculated Property | |
| McVol | 115.590 | ml/mol | McGowan Calculated Property |
| Pc | 3059.17 | kPa | Joback Calculated Property |
| Inp | [1001.00; 1001.00] |
|
|
| Inp | 1001.00 | NIST | |
| Inp | 1001.00 | NIST | |
| Tboil | 430.59 | K | Relay (1.0) Calculated Property |
| Tc | 592.72 | K | Relay (1.0) Calculated Property |
| Tfus | 304.25 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [287.52; 332.34] | J/mol×K | [534.75; 716.72] |
|
| Cp,gas | 287.52 | J/mol×K | 534.75 | Joback Calculated Property |
| Cp,gas | 296.32 | J/mol×K | 565.08 | Joback Calculated Property |
| Cp,gas | 304.55 | J/mol×K | 595.41 | Joback Calculated Property |
| Cp,gas | 312.26 | J/mol×K | 625.74 | Joback Calculated Property |
| Cp,gas | 319.44 | J/mol×K | 656.07 | Joback Calculated Property |
| Cp,gas | 326.13 | J/mol×K | 686.39 | Joback Calculated Property |
| Cp,gas | 332.34 | J/mol×K | 716.72 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (+-)-3-hydroxybutyric acid, trifluoroacetate.
Sources
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