- InChI
- InChI=1S/C8H11F3O2/c1-7(2,3)5(12)4-6(13)8(9,10)11/h4H2,1-3H3
- InChI Key
- BVPKYBMUQDZTJH-UHFFFAOYSA-N
- Formula
- C8H11F3O2
- SMILES
- CC(C)(C)C(=O)CC(=O)C(F)(F)F
- Molecular Weight1
- 196.17
- CAS
- 22767-90-4
- Other Names
-
- 1,1,1-Trifluoro-5,5-dimethyl-2,4-hexanedione
- 1,1,1-trifluoro-5,5-dimethylhexane-2,4-dione
- 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 |
|---|---|---|---|
| ΔfG° | -820.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1039.44 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.85 | kJ/mol | Joback Calculated Property |
| IE | 9.87 ± 0.07 | eV | NIST |
| log10WS | -2.15 | Crippen Calculated Property | |
| logPoct/wat | 2.123 | Crippen Calculated Property | |
| McVol | 132.030 | ml/mol | McGowan Calculated Property |
| Pc | 2611.07 | kPa | Joback Calculated Property |
| Tboil | 481.53 | K | Joback Calculated Property |
| Tc | 661.77 | K | Joback Calculated Property |
| Tfus | 286.39 | K | Joback Calculated Property |
| Vc | 0.527 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [306.21; 367.87] | J/mol×K | [481.53; 661.77] | 
|
| Cp,gas | 306.21 | J/mol×K | 481.53 | Joback Calculated Property |
| Cp,gas | 318.25 | J/mol×K | 511.57 | Joback Calculated Property |
| Cp,gas | 329.54 | J/mol×K | 541.61 | Joback Calculated Property |
| Cp,gas | 340.11 | J/mol×K | 571.65 | Joback Calculated Property |
| Cp,gas | 350.00 | J/mol×K | 601.69 | Joback Calculated Property |
| Cp,gas | 359.23 | J/mol×K | 631.73 | Joback Calculated Property |
| Cp,gas | 367.87 | J/mol×K | 661.77 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 342.50 ± 1.50 | K | 0.80 | NIST |
Similar Compounds
Find more compounds similar to 2,4-Hexanedione, 1,1,1-trifluoro-5,5-dimethyl-.
Sources
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