- InChI
- InChI=1S/C6H9F3O4/c7-6(8,9)5(12)13-2-1-4(11)3-10/h4,10-11H,1-3H2
- InChI Key
- PQQXIPGEDLNBKJ-UHFFFAOYSA-N
- Formula
- C6H9F3O4
- SMILES
- O=C(OCCC(O)CO)C(F)(F)F
- Molecular Weight1
- 202.13
- 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° | -1091.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1318.79 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.33 | kJ/mol | Joback Calculated Property |
| log10WS | -0.50 | Crippen Calculated Property | |
| logPoct/wat | -0.165 | Crippen Calculated Property | |
| McVol | 119.890 | ml/mol | McGowan Calculated Property |
| Pc | 3577.07 | kPa | Joback Calculated Property |
| Inp | [950.00; 950.00] |
|
|
| Inp | 950.00 | NIST | |
| Inp | 950.00 | NIST | |
| Tboil | 591.47 | K | Joback Calculated Property |
| Tc | 749.53 | K | Joback Calculated Property |
| Tfus | 340.37 | K | Joback Calculated Property |
| Vc | 0.470 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [318.85; 357.55] | J/mol×K | [591.47; 749.53] |
|
| Cp,gas | 318.85 | J/mol×K | 591.47 | Joback Calculated Property |
| Cp,gas | 326.18 | J/mol×K | 617.81 | Joback Calculated Property |
| Cp,gas | 333.14 | J/mol×K | 644.16 | Joback Calculated Property |
| Cp,gas | 339.75 | J/mol×K | 670.50 | Joback Calculated Property |
| Cp,gas | 346.01 | J/mol×K | 696.85 | Joback Calculated Property |
| Cp,gas | 351.94 | J/mol×K | 723.19 | Joback Calculated Property |
| Cp,gas | 357.55 | J/mol×K | 749.53 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (S)-(-)-1,2,4-Butanetriol, 4-trifluoroacetate.
Sources
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