- InChI
- InChI=1S/C6HBrF4/c7-2-1-3(8)5(10)6(11)4(2)9/h1H
- InChI Key
- BUYSIDPAOVWMQX-UHFFFAOYSA-N
- Formula
- C6HBrF4
- SMILES
- Fc1cc(Br)c(F)c(F)c1F
- Molecular Weight1
- 228.97
- CAS
- 1074-91-5
- Other Names
-
- 1-Bromo-2,3,4,5-tetrafluorobenzene
- 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° | -691.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -734.63 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 37.04 | kJ/mol | Joback Calculated Property |
| IE | 9.50 ± 0.02 | eV | NIST |
| log10WS | -3.96 | Crippen Calculated Property | |
| logPoct/wat | 3.006 | Crippen Calculated Property | |
| McVol | 96.220 | ml/mol | McGowan Calculated Property |
| Pc | 3745.38 | kPa | Joback Calculated Property |
| Tboil | 446.52 | K | Joback Calculated Property |
| Tc | 639.98 | K | Joback Calculated Property |
| Tfus | 296.04 | K | Joback Calculated Property |
| Vc | 0.398 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [169.51; 200.51] | J/mol×K | [446.52; 639.98] | 
|
| Cp,gas | 169.51 | J/mol×K | 446.52 | Joback Calculated Property |
| Cp,gas | 175.39 | J/mol×K | 478.76 | Joback Calculated Property |
| Cp,gas | 180.97 | J/mol×K | 511.01 | Joback Calculated Property |
| Cp,gas | 186.26 | J/mol×K | 543.25 | Joback Calculated Property |
| Cp,gas | 191.28 | J/mol×K | 575.49 | Joback Calculated Property |
| Cp,gas | 196.03 | J/mol×K | 607.73 | Joback Calculated Property |
| Cp,gas | 200.51 | J/mol×K | 639.98 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-bromo-2,3,4,5-tetrafluoro-.
Sources
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