- InChI
- InChI=1S/C3Cl3F3O/c4-2(5,7)1(10)3(6,8)9
- InChI Key
- QCVAFEQJWDOJLG-UHFFFAOYSA-N
- Formula
- C3Cl3F3O
- SMILES
- O=C(C(F)(F)Cl)C(F)(Cl)Cl
- Molecular Weight1
- 215.39
- CAS
- 79-52-7
- Other Names
-
- Acetone, 1,1,3-trichloro-1,3,3-trifluoro-
- 1,1,3-Trichloro-1,3,3-trifluoro-2-propanone
- 1,1,3-Trifluoro-1,3,3-trichloroacetone
- 2-Propanone, 1,1,3-trichloro-1,3,3-trifluoro-
- 3FK
- 1,1,3-Trichloro-1,3,3-trifluoroacetone
- 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).
- 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° | -769.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -870.88 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 37.13 | kJ/mol | Joback Calculated Property |
| IE | 11.21 ± 0.02 | eV | NIST |
| log10WS | -2.58 | Crippen Calculated Property | |
| logPoct/wat | 2.488 | Crippen Calculated Property | |
| McVol | 96.730 | ml/mol | McGowan Calculated Property |
| Pc | 3668.65 | kPa | Joback Calculated Property |
| Tboil | 425.55 | K | Joback Calculated Property |
| Tc | 623.40 | K | Joback Calculated Property |
| Tfus | 269.87 | K | Joback Calculated Property |
| Vc | 0.389 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [168.89; 195.59] | J/mol×K | [425.55; 623.40] | 
|
| Cp,gas | 168.89 | J/mol×K | 425.55 | Joback Calculated Property |
| Cp,gas | 174.80 | J/mol×K | 458.52 | Joback Calculated Property |
| Cp,gas | 180.07 | J/mol×K | 491.50 | Joback Calculated Property |
| Cp,gas | 184.74 | J/mol×K | 524.47 | Joback Calculated Property |
| Cp,gas | 188.85 | J/mol×K | 557.45 | Joback Calculated Property |
| Cp,gas | 192.45 | J/mol×K | 590.42 | Joback Calculated Property |
| Cp,gas | 195.59 | J/mol×K | 623.40 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,1,3-Trichlorotrifluoroacetone.
Sources
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