- InChI
- InChI=1S/C9H4F6O/c10-8(11,12)6-3-1-2-5(4-6)7(16)9(13,14)15/h1-4H
- InChI Key
- MDCHHRZBYSSONX-UHFFFAOYSA-N
- Formula
- C9H4F6O
- SMILES
-
O=C(c1cccc(C(F)(F)F)c1)C(F)(F)
F - Molecular Weight1
- 242.12
- CAS
- 721-37-9
- Other Names
-
- 3-Trifluoromethyltrifluoroacetophenone
- 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° | -1164.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1310.77 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 37.82 | kJ/mol | Joback Calculated Property |
| log10WS | -3.90 | Crippen Calculated Property | |
| logPoct/wat | 3.450 | Crippen Calculated Property | |
| McVol | 126.100 | ml/mol | McGowan Calculated Property |
| Pc | 2670.78 | kPa | Joback Calculated Property |
| Tboil | 480.01 | K | Joback Calculated Property |
| Tc | 662.14 | K | Joback Calculated Property |
| Tfus | 288.44 | K | Joback Calculated Property |
| Vc | 0.523 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [289.87; 344.79] | J/mol×K | [480.01; 662.14] | 
|
| Cp,gas | 289.87 | J/mol×K | 480.01 | Joback Calculated Property |
| Cp,gas | 300.94 | J/mol×K | 510.37 | Joback Calculated Property |
| Cp,gas | 311.18 | J/mol×K | 540.72 | Joback Calculated Property |
| Cp,gas | 320.64 | J/mol×K | 571.08 | Joback Calculated Property |
| Cp,gas | 329.37 | J/mol×K | 601.43 | Joback Calculated Property |
| Cp,gas | 337.41 | J/mol×K | 631.79 | Joback Calculated Property |
| Cp,gas | 344.79 | J/mol×K | 662.14 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Trifluoromethyl-«alpha»,«alpha»,«alpha»-trifluoroacetophenone.
Sources
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