- InChI
- InChI=1S/C6H7F3O4/c1-5(2,3(10)11)13-4(12)6(7,8)9/h1-2H3,(H,10,11)
- InChI Key
- KKKNBLWCXHRHFB-UHFFFAOYSA-N
- Formula
- C6H7F3O4
- SMILES
- CC(C)(OC(=O)C(F)(F)F)C(=O)O
- Molecular Weight1
- 200.11
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.6223 | Relay (1.0) Calculated Property | |
| ΔfG° | -1078.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1419.06 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.41 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 11.11 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.66 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.955 | Crippen Calculated Property | |
| McVol | 115.590 | ml/mol | McGowan Calculated Property |
| Pc | 3501.28 | kPa | Joback Calculated Property |
| Inp | [981.00; 981.00] |
|
|
| Inp | 981.00 | NIST | |
| Inp | 981.00 | NIST | |
| Tboil | 426.83 | K | Relay (1.0) Calculated Property |
| Tc | 584.85 | K | Relay (1.0) Calculated Property |
| Tfus | 328.02 | K | Relay (1.0) Calculated Property |
| Vc | 0.433 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [290.55; 331.26] | J/mol×K | [550.37; 725.25] |
|
| Cp,gas | 290.55 | J/mol×K | 550.37 | Joback Calculated Property |
| Cp,gas | 298.55 | J/mol×K | 579.52 | Joback Calculated Property |
| Cp,gas | 306.03 | J/mol×K | 608.66 | Joback Calculated Property |
| Cp,gas | 313.02 | J/mol×K | 637.81 | Joback Calculated Property |
| Cp,gas | 319.54 | J/mol×K | 666.96 | Joback Calculated Property |
| Cp,gas | 325.61 | J/mol×K | 696.10 | Joback Calculated Property |
| Cp,gas | 331.26 | J/mol×K | 725.25 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «alpha»-Hydroxyisobutyric acid, trifluoroacetate.
Sources
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