- InChI
- InChI=1S/C3HF5O2/c4-2(5,1(9)10)3(6,7)8/h(H,9,10)
- InChI Key
- LRMSQVBRUNSOJL-UHFFFAOYSA-N
- Formula
- C3HF5O2
- SMILES
- O=C(O)C(F)(F)C(F)(F)F
- Molecular Weight1
- 164.03
- Other Names
-
- 2,2,3,3,3-Pentafluoropropionic acid
- Propionic acid, pentafluoro-
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -1487.51 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.49 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 12.25 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.269 | Crippen Calculated Property | |
| McVol | 69.420 | ml/mol | McGowan Calculated Property |
| Inp | [781.00; 781.00] |
|
|
| Inp | 781.00 | NIST | |
| Inp | 781.00 | NIST | |
| Tboil | [369.50; 370.07] | K |
|
| Tboil | 369.50 ± 0.50 | K | NIST |
| Tboil | 370.00 ± 1.00 | K | NIST |
| Tboil | 370.07 ± 0.20 | K | NIST |
| Tfus | 310.74 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [120.82; 223.17] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -1.37300e+01 | |||
| Coefficient B | 6.50200e-01 | |||
| Coefficient C | -6.37600e-04 | |||
| Coefficient D | 2.24300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 120.82 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 146.43 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 166.82 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 182.71 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 194.80 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 203.81 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 210.44 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 215.41 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 219.41 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 223.17 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to PROPANOIC ACID, PENTAFLUORO-.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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