![1-Propanone, 1-[3,5-bis(trifluoromethyl)phenyl]-](/cid/117-771-6/1-Propanone-1-3-5-bis-trifluoromethyl-phenyl.png "1-Propanone, 1-[3,5-bis(trifluoromethyl)phenyl]-")
- InChI
- InChI=1S/C11H8F6O/c1-2-9(18)6-3-7(10(12,13)14)5-8(4-6)11(15,16)17/h3-5H,2H2,1H3
- InChI Key
- VLRWCHKOSBUGMB-UHFFFAOYSA-N
- Formula
- C11H8F6O
- SMILES
-
CCC(=O)c1cc(C(F)(F)F)cc(C(F)(F
)F)c1 - Molecular Weight1
- 270.17
- CAS
- 85068-34-4
- Other Names
-
- 3',5'-Bis(trifluoromethyl)propiophenone
- 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° | -1157.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1363.52 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.93 | kJ/mol | Joback Calculated Property |
| log10WS | -4.76 | Crippen Calculated Property | |
| logPoct/wat | 4.317 | Crippen Calculated Property | |
| McVol | 154.280 | ml/mol | McGowan Calculated Property |
| Pc | 2179.52 | kPa | Joback Calculated Property |
| Tboil | 530.75 | K | Joback Calculated Property |
| Tc | 710.40 | K | Joback Calculated Property |
| Tfus | 323.50 | K | Joback Calculated Property |
| Vc | 0.635 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [377.73; 439.05] | J/mol×K | [530.75; 710.40] | 
|
| Cp,gas | 377.73 | J/mol×K | 530.75 | Joback Calculated Property |
| Cp,gas | 389.83 | J/mol×K | 560.69 | Joback Calculated Property |
| Cp,gas | 401.13 | J/mol×K | 590.63 | Joback Calculated Property |
| Cp,gas | 411.65 | J/mol×K | 620.58 | Joback Calculated Property |
| Cp,gas | 421.45 | J/mol×K | 650.52 | Joback Calculated Property |
| Cp,gas | 430.57 | J/mol×K | 680.46 | Joback Calculated Property |
| Cp,gas | 439.05 | J/mol×K | 710.40 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Propanone, 1-[3,5-bis(trifluoromethyl)phenyl]-.
Sources
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