- InChI
- InChI=1S/C8H11F3O4/c1-4(2)3-5(6(12)13)15-7(14)8(9,10)11/h4-5H,3H2,1-2H3,(H,12,13)
- InChI Key
- DZXQBBALFIMLBZ-UHFFFAOYSA-N
- Formula
- C8H11F3O4
- SMILES
- CC(C)CC(OC(=O)C(F)(F)F)C(=O)O
- Molecular Weight1
- 228.17
- 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 | 0.6903 | Relay (1.0) Calculated Property | |
| ΔfG° | -1069.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1456.85 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.40 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.86 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.59 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.591 | Crippen Calculated Property | |
| McVol | 143.770 | ml/mol | McGowan Calculated Property |
| Pc | 2814.34 | kPa | Joback Calculated Property |
| Inp | [1142.00; 1142.00] |
|
|
| Inp | 1142.00 | NIST | |
| Inp | 1142.00 | NIST | |
| Tboil | 459.51 | K | Relay (1.0) Calculated Property |
| Tc | 610.33 | K | Relay (1.0) Calculated Property |
| Tfus | 327.94 | K | Relay (1.0) Calculated Property |
| Vc | 0.510 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [378.00; 427.83] | J/mol×K | [598.48; 768.75] |
|
| Cp,gas | 378.00 | J/mol×K | 598.48 | Joback Calculated Property |
| Cp,gas | 387.53 | J/mol×K | 626.86 | Joback Calculated Property |
| Cp,gas | 396.55 | J/mol×K | 655.24 | Joback Calculated Property |
| Cp,gas | 405.07 | J/mol×K | 683.62 | Joback Calculated Property |
| Cp,gas | 413.12 | J/mol×K | 712.00 | Joback Calculated Property |
| Cp,gas | 420.70 | J/mol×K | 740.37 | Joback Calculated Property |
| Cp,gas | 427.83 | J/mol×K | 768.75 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Hydroxyisocaproic acid, trifluoroacetate.
Sources
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