- InChI
- InChI=1S/C3H2BrF3O/c4-1-2(8)3(5,6)7/h1H2
- InChI Key
- ONZQYZKCUHFORE-UHFFFAOYSA-N
- Formula
- C3H2BrF3O
- SMILES
- O=C(CBr)C(F)(F)F
- Molecular Weight1
- 190.95
- CAS
- 431-35-6
- Other Names
-
- 3-Bromo-1,1,1-trifluoropropanone
- 3-Bromo-1,1,1-trifluoro-2-propanone
- 2-Propanone, 3-bromo-1,1,1-trifluoro-
- 3-Bromo-1,1,1-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° | -721.81 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -788.58 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 31.71 | kJ/mol | Joback Calculated Property |
| IE | 10.92 ± 0.02 | eV | NIST |
| log10WS | -1.45 | Crippen Calculated Property | |
| logPoct/wat | 1.513 | Crippen Calculated Property | |
| McVol | 77.510 | ml/mol | McGowan Calculated Property |
| Pc | 4504.30 | kPa | Joback Calculated Property |
| Tboil | 359.00 ± 1.00 | K | NIST |
| Tc | 564.21 | K | Joback Calculated Property |
| Tfus | 237.49 | K | Joback Calculated Property |
| Vc | 0.315 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [132.87; 162.49] | J/mol×K | [382.65; 564.21] | 
|
| Cp,gas | 132.87 | J/mol×K | 382.65 | Joback Calculated Property |
| Cp,gas | 138.83 | J/mol×K | 412.91 | Joback Calculated Property |
| Cp,gas | 144.36 | J/mol×K | 443.17 | Joback Calculated Property |
| Cp,gas | 149.46 | J/mol×K | 473.43 | Joback Calculated Property |
| Cp,gas | 154.17 | J/mol×K | 503.69 | Joback Calculated Property |
| Cp,gas | 158.51 | J/mol×K | 533.95 | Joback Calculated Property |
| Cp,gas | 162.49 | J/mol×K | 564.21 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Bromo-3,3,3-trifluoroacetone.
Sources
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