- InChI
- InChI=1S/C10H10ClFO/c11-7-1-2-10(13)8-3-5-9(12)6-4-8/h3-6H,1-2,7H2
- InChI Key
- HXAOUYGZEOZTJO-UHFFFAOYSA-N
- Formula
- C10H10ClFO
- SMILES
- O=C(CCCCl)c1ccc(F)cc1
- Molecular Weight1
- 200.64
- CAS
- 3874-54-2
- Other Names
-
- «gamma»-Chloro-p-fluorobutyrophenone
- 3-Chloropropyl 4'-fluorophenyl ketone
- «omega»-Chloro-4-fluorobutyrophenone
- «gamma»-Chloro-4-fluorobutyrophenone
- «omega»-Chloro-p-fluorobutyrophenone
- p-Fluoro-«gamma»-chlorobutyrophenone
- p-Fluoro-«omega»-chlorobutyrophenone
- p-Fluoro-4-chlorobutyrophenone
- p-Fluorobenzoylpropyl chloride
- Butyrophenone, 4-chloro-4'-fluoro-
- 3-(p-Fluorobenzoyl)propyl chloride
- 3-(4-Fluorobenzoyl)propyl chloride
- 3-Chloro-4'-fluorobutyrophenone
- 3-Chloropropyl 4-fluorophenyl ketone
- 4-(p-Fluorophenyl)-4-oxobutyl chloride
- 4-(4-Fluorophenyl)-4-oxobutyl chloride
- 4-Chloro-p-fluorobutyrophenone
- 4-Chloro-4'-fluorobutyrophenone
- 4-Fluorobenzoylpropyl chloride
- 4'-Fluoro-4-chlorobutyrophenone
- NSC 87082
- 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° | -199.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -349.10 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.11 | kJ/mol | Joback Calculated Property |
| log10WS | -3.45 | Crippen Calculated Property | |
| logPoct/wat | 3.027 | Crippen Calculated Property | |
| McVol | 143.580 | ml/mol | McGowan Calculated Property |
| Pc | 2826.33 | kPa | Joback Calculated Property |
| Tboil | 550.43 | K | Joback Calculated Property |
| Tc | 760.36 | K | Joback Calculated Property |
| Tfus | 321.84 | K | Joback Calculated Property |
| Vc | 0.560 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [310.95; 372.99] | J/mol×K | [550.43; 760.36] | 
|
| Cp,gas | 310.95 | J/mol×K | 550.43 | Joback Calculated Property |
| Cp,gas | 323.04 | J/mol×K | 585.42 | Joback Calculated Property |
| Cp,gas | 334.40 | J/mol×K | 620.41 | Joback Calculated Property |
| Cp,gas | 345.04 | J/mol×K | 655.40 | Joback Calculated Property |
| Cp,gas | 354.99 | J/mol×K | 690.39 | Joback Calculated Property |
| Cp,gas | 364.30 | J/mol×K | 725.38 | Joback Calculated Property |
| Cp,gas | 372.99 | J/mol×K | 760.36 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Butanone, 4-chloro-1-(4-fluorophenyl)-.
Sources
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