- InChI
- InChI=1S/C3HF5O/c4-2(5)1(9)3(6,7)8/h2H
- InChI Key
- WQAWXRFLNDAOON-UHFFFAOYSA-N
- Formula
- C3HF5O
- SMILES
- O=C(C(F)F)C(F)(F)F
- Molecular Weight1
- 148.03
- CAS
- 431-71-0
- Other Names
-
- Pentafluoroacetone
- ω : Acentric Factor.
- 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).
- Pc : Critical Pressure (kPa).
- 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.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.2952 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -1200.16 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 9.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 27.47 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 11.36 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.383 | Crippen Calculated Property | |
| McVol | 63.550 | ml/mol | McGowan Calculated Property |
| Pc | 3713.49 | kPa | Joback Calculated Property |
| Tboil | 273.63 | K | Relay (1.0) Calculated Property |
| Tc | 400.96 | K | Relay (1.0) Calculated Property |
| Tfus | 231.77 | K | Relay (1.0) Calculated Property |
| Vc | 0.252 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Standard Gibbs free energy of formation, 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 | [109.27; 200.48] | 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 | 1.18200e+01 | |||
| Coefficient B | 4.51500e-01 | |||
| Coefficient C | -3.77700e-04 | |||
| Coefficient D | 1.14860e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 109.27 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 129.36 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 146.12 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 159.91 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 171.08 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 180.00 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 187.04 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 192.56 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 196.92 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 200.48 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Propanone, 1,1,1,3,3-pentafluoro-.
Sources
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