- InChI
- InChI=1S/C8H6F2O/c1-5(11)6-2-3-7(9)8(10)4-6/h2-4H,1H3
- InChI Key
- VWJSSJFLXRMYNV-UHFFFAOYSA-N
- Formula
- C8H6F2O
- SMILES
- CC(=O)c1ccc(F)c(F)c1
- Molecular Weight1
- 156.13
- CAS
- 369-33-5
- Other Names
-
- 3,4-Difluoroacetophenone
- Ethanone, 1-(3,4-difluorophenyl)-
- 1-(3,4-Difluoro-phenyl)-ethanone
- 1-(3,4-difluorophenyl)ethan-1-one
- 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).
- Tboilr : Boiling point at reduced pressure (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 | 0.4328 | Relay (... Calculated Property | |
| ΔfG° | -408.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -485.96 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 17.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.75 | kJ/mol | Relay (... Calculated Property |
| IE | 9.55 | eV | Relay (... Calculated Property |
| log10WS | -2.37 | Relay (... Calculated Property | |
| logPoct/wat | 2.167 | Crippen Calculated Property | |
| McVol | 104.930 | ml/mol | McGowan Calculated Property |
| Pc | 3411.87 | kPa | Joback Calculated Property |
| Tboil | 457.87 | K | Relay (... Calculated Property |
| Tc | 672.61 | K | Relay (... Calculated Property |
| Tfus | 283.02 | K | Relay (... Calculated Property |
| Vc | 0.395 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [209.37; 260.45] | J/mol×K | [471.49; 672.86] | 
|
| Cp,gas | 209.37 | J/mol×K | 471.49 | Joback Calculated Property |
| Cp,gas | 219.12 | J/mol×K | 505.05 | Joback Calculated Property |
| Cp,gas | 228.36 | J/mol×K | 538.61 | Joback Calculated Property |
| Cp,gas | 237.10 | J/mol×K | 572.17 | Joback Calculated Property |
| Cp,gas | 245.36 | J/mol×K | 605.73 | Joback Calculated Property |
| Cp,gas | 253.14 | J/mol×K | 639.29 | Joback Calculated Property |
| Cp,gas | 260.45 | J/mol×K | 672.86 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 367.50 ± 0.50 | K | 1.70 | NIST |
Similar Compounds
Find more compounds similar to 3',4'-Difluoroacetophenone.
Sources
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