- 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).
- 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° | -1084.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1279.14 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.40 | kJ/mol | Joback Calculated Property |
| log10WS | -1.07 | Crippen Calculated Property | |
| logPoct/wat | 0.955 | Crippen Calculated Property | |
| McVol | 115.590 | ml/mol | McGowan Calculated Property |
| Pc | 3456.14 | kPa | Joback Calculated Property |
| Inp | [1001.00; 1001.00] |
|
|
| Inp | 1001.00 | NIST | |
| Inp | 1001.00 | NIST | |
| Tboil | 553.16 | K | Joback Calculated Property |
| Tc | 722.48 | K | Joback Calculated Property |
| Tfus | 329.48 | K | Joback Calculated Property |
| Vc | 0.458 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [287.13; 327.60] | J/mol×K | [553.16; 722.48] |
|
| Cp,gas | 287.13 | J/mol×K | 553.16 | Joback Calculated Property |
| Cp,gas | 294.87 | J/mol×K | 581.38 | Joback Calculated Property |
| Cp,gas | 302.20 | J/mol×K | 609.60 | Joback Calculated Property |
| Cp,gas | 309.13 | J/mol×K | 637.82 | Joback Calculated Property |
| Cp,gas | 315.66 | J/mol×K | 666.04 | Joback Calculated Property |
| Cp,gas | 321.81 | J/mol×K | 694.26 | Joback Calculated Property |
| Cp,gas | 327.60 | J/mol×K | 722.48 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (+-)-3-hydroxybutyric acid, trifluoroacetate.
Sources
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