- InChI
- InChI=1S/C4H3BrClF3/c1-2-3(6,7)4(5,8)9/h2H,1H2
- InChI Key
- VULPFOSLGWWARI-UHFFFAOYSA-N
- Formula
- C4H3BrClF3
- SMILES
- C=CC(F)(Cl)C(F)(F)Br
- Molecular Weight1
- 223.42
- CAS
- 374-25-4
- Other Names
-
- 4-Bromo-3-chloro-3,4,4-trifluorobutene-1
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.2378 | Relay (1.0) Calculated Property | |
| ΔfusH° | 8.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 32.72 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.62 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.065 | Crippen Calculated Property | |
| McVol | 97.970 | ml/mol | McGowan Calculated Property |
| Pc | 3786.98 | kPa | Joback Calculated Property |
| Tboil | 370.00 ± 1.00 | K | NIST |
| Tc | 536.18 | K | Relay (1.0) Calculated Property |
| Tfus | 150.15 | K | Relay (1.0) Calculated Property |
| Vc | 0.357 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [164.63; 203.70] | J/mol×K | [382.54; 574.02] | 
|
| Cp,gas | 164.63 | J/mol×K | 382.54 | Joback Calculated Property |
| Cp,gas | 172.92 | J/mol×K | 414.45 | Joback Calculated Property |
| Cp,gas | 180.42 | J/mol×K | 446.37 | Joback Calculated Property |
| Cp,gas | 187.21 | J/mol×K | 478.28 | Joback Calculated Property |
| Cp,gas | 193.31 | J/mol×K | 510.20 | Joback Calculated Property |
| Cp,gas | 198.79 | J/mol×K | 542.11 | Joback Calculated Property |
| Cp,gas | 203.70 | J/mol×K | 574.02 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Butene, 4-bromo-3-chloro-3,4,4-trifluoro-.
Sources
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