- InChI
- InChI=1S/C7H7F5O4/c1-3(2-4(13)14)16-5(15)6(8,9)7(10,11)12/h3H,2H2,1H3,(H,13,14)
- InChI Key
- ZTPLUBBHELQQIZ-UHFFFAOYSA-N
- Formula
- C7H7F5O4
- SMILES
-
CC(CC(=O)O)OC(=O)C(F)(F)C(F)(F
)F - Molecular Weight1
- 250.12
- 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° | -1462.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1700.75 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.69 | kJ/mol | Joback Calculated Property |
| log10WS | -1.80 | Crippen Calculated Property | |
| logPoct/wat | 1.590 | Crippen Calculated Property | |
| McVol | 133.220 | ml/mol | McGowan Calculated Property |
| Pc | 2865.80 | kPa | Joback Calculated Property |
| Inp | [1020.00; 1020.00] |
|
|
| Inp | 1020.00 | NIST | |
| Inp | 1020.00 | NIST | |
| Tboil | 571.35 | K | Joback Calculated Property |
| Tc | 734.50 | K | Joback Calculated Property |
| Tfus | 344.35 | K | Joback Calculated Property |
| Vc | 0.538 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [351.78; 394.18] | J/mol×K | [571.35; 734.50] |
|
| Cp,gas | 351.78 | J/mol×K | 571.35 | Joback Calculated Property |
| Cp,gas | 360.05 | J/mol×K | 598.54 | Joback Calculated Property |
| Cp,gas | 367.80 | J/mol×K | 625.73 | Joback Calculated Property |
| Cp,gas | 375.07 | J/mol×K | 652.92 | Joback Calculated Property |
| Cp,gas | 381.88 | J/mol×K | 680.11 | Joback Calculated Property |
| Cp,gas | 388.24 | J/mol×K | 707.31 | Joback Calculated Property |
| Cp,gas | 394.18 | J/mol×K | 734.50 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (+-)-3-hydroxybutyric acid, pentafluoropropionate.
Sources
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