- InChI
- InChI=1S/C4H6BrF3/c5-3-1-2-4(6,7)8/h1-3H2
- InChI Key
- DBCAQXHNJOFNGC-UHFFFAOYSA-N
- Formula
- C4H6BrF3
- SMILES
- FC(F)(F)CCCBr
- Molecular Weight1
- 190.99
- CAS
- 406-81-5
- 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° | -584.47 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -696.64 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 13.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 27.19 | kJ/mol | Joback Calculated Property |
| log10WS | -2.59 | Crippen Calculated Property | |
| logPoct/wat | 2.724 | Crippen Calculated Property | |
| McVol | 90.030 | ml/mol | McGowan Calculated Property |
| Pc | 3677.55 | kPa | Joback Calculated Property |
| Tboil | 351.66 | K | Joback Calculated Property |
| Tc | 518.63 | K | Joback Calculated Property |
| Tfus | 198.83 | K | Joback Calculated Property |
| Vc | 0.364 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [153.13; 195.14] | J/mol×K | [351.66; 518.63] | 
|
| Cp,gas | 153.13 | J/mol×K | 351.66 | Joback Calculated Property |
| Cp,gas | 161.24 | J/mol×K | 379.49 | Joback Calculated Property |
| Cp,gas | 168.88 | J/mol×K | 407.32 | Joback Calculated Property |
| Cp,gas | 176.07 | J/mol×K | 435.15 | Joback Calculated Property |
| Cp,gas | 182.83 | J/mol×K | 462.98 | Joback Calculated Property |
| Cp,gas | 189.18 | J/mol×K | 490.81 | Joback Calculated Property |
| Cp,gas | 195.14 | J/mol×K | 518.63 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4,4,4-Trifluoro-1-bromobutane.
Sources
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