- InChI
- InChI=1S/C9H8F2O2/c1-2-8(12)5-3-6(10)9(13)7(11)4-5/h3-4,13H,2H2,1H3
- InChI Key
- PJIDRPUAOWTRGM-UHFFFAOYSA-N
- Formula
- C9H8F2O2
- SMILES
- CCC(=O)c1cc(F)c(O)c(F)c1
- Molecular Weight1
- 186.16
- CAS
- 178374-78-2
- 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).
- 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 | 0.6016 | Relay (... Calculated Property | |
| ΔfG° | -555.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -667.31 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 25.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.82 | kJ/mol | Relay (... Calculated Property |
| IE | 8.96 | eV | Relay (... Calculated Property |
| log10WS | -2.51 | Relay (... Calculated Property | |
| logPoct/wat | 2.263 | Crippen Calculated Property | |
| McVol | 124.890 | ml/mol | McGowan Calculated Property |
| Pc | 3633.35 | kPa | Joback Calculated Property |
| Tboil | 483.06 | K | Relay (... Calculated Property |
| Tc | 734.95 | K | Relay (... Calculated Property |
| Tfus | 390.61 | K | Relay (... Calculated Property |
| Vc | 0.454 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [296.33; 346.67] | J/mol×K | [574.99; 785.81] | 
|
| Cp,gas | 296.33 | J/mol×K | 574.99 | Joback Calculated Property |
| Cp,gas | 306.11 | J/mol×K | 610.13 | Joback Calculated Property |
| Cp,gas | 315.27 | J/mol×K | 645.26 | Joback Calculated Property |
| Cp,gas | 323.85 | J/mol×K | 680.40 | Joback Calculated Property |
| Cp,gas | 331.90 | J/mol×K | 715.54 | Joback Calculated Property |
| Cp,gas | 339.50 | J/mol×K | 750.67 | Joback Calculated Property |
| Cp,gas | 346.67 | J/mol×K | 785.81 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,5-Difluoro-4-hydroxypropiophenone.
Sources
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