![2-Propanone, 1-[3-(trifluoromethyl)phenyl]-](/cid/47-099-1/2-Propanone-1-3-trifluoromethyl-phenyl.png "2-Propanone, 1-[3-(trifluoromethyl)phenyl]-")
- InChI
- InChI=1S/C10H9F3O/c1-7(14)5-8-3-2-4-9(6-8)10(11,12)13/h2-4,6H,5H2,1H3
- InChI Key
- JPHQCDCEBDRIOL-UHFFFAOYSA-N
- Formula
- C10H9F3O
- SMILES
- CC(=O)Cc1cccc(C(F)(F)F)c1
- Molecular Weight1
- 202.17
- CAS
- 21906-39-8
- Other Names
-
- 2-Propanone, 1-(«alpha»,«alpha»,«alpha»-trifluoro-m-tolyl)-
- m-(Trifluoromethyl)benzyl methyl ketone
- m-Trifluoromethylphenylacetone
- [3-(Trifluoromethyl)phenyl]acetone
- 1-(3-Trifluoromethylphenyl)-2-propanone
- 1-(«alpha»,«alpha»,«alpha»-Trifluoro-m-tolyl)-2-propanone
- 1-(«alpha»,«alpha»,«alpha»-trifluoro-m-tolyl)acetone
- 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).
- Tboilr : Boiling point at reduced pressure (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 | 0.4517 | Relay (... Calculated Property | |
| ΔfG° | -574.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -776.75 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 18.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.44 | kJ/mol | Relay (... Calculated Property |
| IE | 9.29 | eV | Relay (... Calculated Property |
| log10WS | -1.92 | Relay (... Calculated Property | |
| logPoct/wat | 2.837 | Crippen Calculated Property | |
| McVol | 134.880 | ml/mol | McGowan Calculated Property |
| Pc | 2726.86 | kPa | Joback Calculated Property |
| Tboil | 481.42 | K | Relay (... Calculated Property |
| Tc | 682.63 | K | Relay (... Calculated Property |
| Tfus | 305.42 | K | Relay (... Calculated Property |
| Vc | 0.483 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [304.82; 368.83] | J/mol×K | [508.31; 705.35] | 
|
| Cp,gas | 304.82 | J/mol×K | 508.31 | Joback Calculated Property |
| Cp,gas | 317.42 | J/mol×K | 541.15 | Joback Calculated Property |
| Cp,gas | 329.18 | J/mol×K | 573.99 | Joback Calculated Property |
| Cp,gas | 340.17 | J/mol×K | 606.83 | Joback Calculated Property |
| Cp,gas | 350.41 | J/mol×K | 639.67 | Joback Calculated Property |
| Cp,gas | 359.95 | J/mol×K | 672.51 | Joback Calculated Property |
| Cp,gas | 368.83 | J/mol×K | 705.35 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 362.70 | K | 0.07 | NIST |
Similar Compounds
Find more compounds similar to 2-Propanone, 1-[3-(trifluoromethyl)phenyl]-.
Sources
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