- InChI
- InChI=1S/C8H6ClFO/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4H,5H2
- InChI Key
- UJZWJOQRSMOFMA-UHFFFAOYSA-N
- Formula
- C8H6ClFO
- SMILES
- O=C(CCl)c1ccc(F)cc1
- Molecular Weight1
- 172.58
- CAS
- 456-04-2
- Other Names
-
- «alpha»-Chloro-para-fluoroacetophenone
- p-Fluoro-«alpha»-chloroacetophenone
- Ethanone, 2-chloro-1-(4-fluorophenyl)-
- Acetophenone, 2-chloro-4'-fluoro-
- p-Fluorophenacyl chloride
- 2-Chloro-4'-fluoroacetophenone
- 2-Chloro-1-(4-fluorophenyl)ethanone
- «alpha»-Chloro-4-fluoroacetophenone
- 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 | 0.4443 | Relay (... Calculated Property | |
| ΔfG° | -216.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -319.27 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 19.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.40 | kJ/mol | Relay (... Calculated Property |
| IE | 9.55 | eV | Relay (... Calculated Property |
| log10WS | -2.75 | Relay (... Calculated Property | |
| logPoct/wat | 2.247 | Crippen Calculated Property | |
| McVol | 115.400 | ml/mol | McGowan Calculated Property |
| Pc | 3505.43 | kPa | Joback Calculated Property |
| Tboil | 501.74 | K | Relay (... Calculated Property |
| Tc | 727.09 | K | Relay (... Calculated Property |
| Tfus | 347.96 | K | Relay (... Calculated Property |
| Vc | 0.410 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [224.55; 275.74] | J/mol×K | [504.67; 721.54] | 
|
| Cp,gas | 224.55 | J/mol×K | 504.67 | Joback Calculated Property |
| Cp,gas | 234.62 | J/mol×K | 540.82 | Joback Calculated Property |
| Cp,gas | 244.03 | J/mol×K | 576.96 | Joback Calculated Property |
| Cp,gas | 252.83 | J/mol×K | 613.11 | Joback Calculated Property |
| Cp,gas | 261.03 | J/mol×K | 649.25 | Joback Calculated Property |
| Cp,gas | 268.66 | J/mol×K | 685.40 | Joback Calculated Property |
| Cp,gas | 275.74 | J/mol×K | 721.54 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «alpha»-Chloro-p-fluoroacetophenone.
Sources
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