- InChI
- InChI=1S/C9H8ClFO/c1-6(10)9(12)7-2-4-8(11)5-3-7/h2-6H,1H3
- InChI Key
- AGQLOTJUTCKLOE-UHFFFAOYSA-N
- Formula
- C9H8ClFO
- SMILES
- CC(Cl)C(=O)c1ccc(F)cc1
- Molecular Weight1
- 186.61
- CAS
- 81112-09-6
- 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° | -210.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -333.74 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.49 | kJ/mol | Joback Calculated Property |
| log10WS | -3.15 | Crippen Calculated Property | |
| logPoct/wat | 2.636 | Crippen Calculated Property | |
| McVol | 129.490 | ml/mol | McGowan Calculated Property |
| Pc | 3166.83 | kPa | Joback Calculated Property |
| Tboil | 527.11 | K | Joback Calculated Property |
| Tc | 745.30 | K | Joback Calculated Property |
| Tfus | 295.57 | K | Joback Calculated Property |
| Vc | 0.498 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [267.15; 325.46] | J/mol×K | [527.11; 745.30] | 
|
| Cp,gas | 267.15 | J/mol×K | 527.11 | Joback Calculated Property |
| Cp,gas | 278.62 | J/mol×K | 563.48 | Joback Calculated Property |
| Cp,gas | 289.35 | J/mol×K | 599.84 | Joback Calculated Property |
| Cp,gas | 299.37 | J/mol×K | 636.21 | Joback Calculated Property |
| Cp,gas | 308.71 | J/mol×K | 672.57 | Joback Calculated Property |
| Cp,gas | 317.40 | J/mol×K | 708.94 | Joback Calculated Property |
| Cp,gas | 325.46 | J/mol×K | 745.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «alpha»-Chloro-4'-fluoropropiophenone.
Sources
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