- InChI
- InChI=1S/C8H6ClFO/c1-5(11)6-2-3-8(10)7(9)4-6/h2-4H,1H3
- InChI Key
- PCJPESKRPOTNGU-UHFFFAOYSA-N
- Formula
- C8H6ClFO
- SMILES
- CC(=O)c1ccc(F)c(Cl)c1
- Molecular Weight1
- 172.58
- CAS
- 2923-66-2
- Other Names
-
- Ethanone, 1-(3-chloro-4-fluorophenyl)-
- 3'-chloro-4'-fluoroacetophenone
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -226.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -319.29 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.32 | kJ/mol | Joback Calculated Property |
| log10WS | -3.15 | Crippen Calculated Property | |
| logPoct/wat | 2.682 | Crippen Calculated Property | |
| McVol | 115.400 | ml/mol | McGowan Calculated Property |
| Pc | 3443.98 | kPa | Joback Calculated Property |
| Tboil | 509.65 | K | Joback Calculated Property |
| Tc | 727.74 | K | Joback Calculated Property |
| Tfus | 311.82 | K | Joback Calculated Property |
| Vc | 0.449 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [224.08; 273.82] | J/mol×K | [509.65; 727.74] | 
|
| Cp,gas | 224.08 | J/mol×K | 509.65 | Joback Calculated Property |
| Cp,gas | 233.76 | J/mol×K | 546.00 | Joback Calculated Property |
| Cp,gas | 242.86 | J/mol×K | 582.35 | Joback Calculated Property |
| Cp,gas | 251.40 | J/mol×K | 618.69 | Joback Calculated Property |
| Cp,gas | 259.39 | J/mol×K | 655.04 | Joback Calculated Property |
| Cp,gas | 266.86 | J/mol×K | 691.39 | Joback Calculated Property |
| Cp,gas | 273.82 | J/mol×K | 727.74 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Chloro-4-fluoroacetophenone.
Sources
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