- InChI
- InChI=1S/C9H8F2O/c1-2-9(12)7-5-6(10)3-4-8(7)11/h3-5H,2H2,1H3
- InChI Key
- BXLHXHGCQFJTLA-UHFFFAOYSA-N
- Formula
- C9H8F2O
- SMILES
- CCC(=O)c1cc(F)ccc1F
- Molecular Weight1
- 170.16
- CAS
- 29112-90-1
- 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 | 0.4584 | Relay (... Calculated Property | |
| ΔfG° | -400.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -493.48 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 20.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.18 | kJ/mol | Relay (... Calculated Property |
| IE | 9.24 | eV | Relay (... Calculated Property |
| log10WS | -2.85 | Relay (... Calculated Property | |
| logPoct/wat | 2.558 | Crippen Calculated Property | |
| McVol | 119.020 | ml/mol | McGowan Calculated Property |
| Pc | 3059.17 | kPa | Joback Calculated Property |
| Tboil | 474.03 | K | Relay (... Calculated Property |
| Tc | 683.61 | K | Relay (... Calculated Property |
| Tfus | 301.15 | K | Relay (... Calculated Property |
| Vc | 0.446 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [250.27; 307.42] | J/mol×K | [494.37; 693.12] | 
|
| Cp,gas | 250.27 | J/mol×K | 494.37 | Joback Calculated Property |
| Cp,gas | 261.17 | J/mol×K | 527.50 | Joback Calculated Property |
| Cp,gas | 271.50 | J/mol×K | 560.62 | Joback Calculated Property |
| Cp,gas | 281.27 | J/mol×K | 593.75 | Joback Calculated Property |
| Cp,gas | 290.51 | J/mol×K | 626.87 | Joback Calculated Property |
| Cp,gas | 299.22 | J/mol×K | 660.00 | Joback Calculated Property |
| Cp,gas | 307.42 | J/mol×K | 693.12 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2',5'-difluoropropiophenone.
Sources
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