- InChI
- InChI=1S/C8H5F3O/c1-4(12)7-5(9)2-3-6(10)8(7)11/h2-3H,1H3
- InChI Key
- INDGVPJYDRJJPJ-UHFFFAOYSA-N
- Formula
- C8H5F3O
- SMILES
- CC(=O)c1c(F)ccc(F)c1F
- Molecular Weight1
- 174.12
- CAS
- 208173-22-2
- 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° | -613.35 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -707.24 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.96 | kJ/mol | Joback Calculated Property |
| log10WS | -3.13 | Crippen Calculated Property | |
| logPoct/wat | 2.307 | Crippen Calculated Property | |
| McVol | 106.700 | ml/mol | McGowan Calculated Property |
| Pc | 3184.73 | kPa | Joback Calculated Property |
| Tboil | 475.74 | K | Joback Calculated Property |
| Tc | 668.03 | K | Joback Calculated Property |
| Tfus | 295.60 | K | Joback Calculated Property |
| Vc | 0.435 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [217.71; 264.80] | J/mol×K | [475.74; 668.03] | 
|
| Cp,gas | 217.71 | J/mol×K | 475.74 | Joback Calculated Property |
| Cp,gas | 226.59 | J/mol×K | 507.79 | Joback Calculated Property |
| Cp,gas | 235.05 | J/mol×K | 539.84 | Joback Calculated Property |
| Cp,gas | 243.09 | J/mol×K | 571.88 | Joback Calculated Property |
| Cp,gas | 250.73 | J/mol×K | 603.93 | Joback Calculated Property |
| Cp,gas | 257.96 | J/mol×K | 635.98 | Joback Calculated Property |
| Cp,gas | 264.80 | J/mol×K | 668.03 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,3,6-Trifluoroacetophenone.
Sources
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