- InChI
- InChI=1S/C8H3BrF6/c9-6-2-4(7(10,11)12)1-5(3-6)8(13,14)15/h1-3H
- InChI Key
- CSVCVIHEBDJTCJ-UHFFFAOYSA-N
- Formula
- C8H3BrF6
- SMILES
- FC(F)(F)c1cc(Br)cc(C(F)(F)F)c1
- Molecular Weight1
- 293.00
- CAS
- 328-70-1
- Other Names
-
- 3,5-di(Trifluoromethyl)bromobenzene
- Benzene, 1-bromo-3,5-bis(trifluoromethyl)-
- m-Xylene, 5-bromo-alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-
- 1-bromo-3,5-bis(trifluoromethyl)benzene
- ω : Acentric Factor.
- 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 |
|---|---|---|---|
| ω | 0.4182 | Relay (1.0) Calculated Property | |
| ΔfG° | -1039.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1175.78 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.44 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.68 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.09 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.487 | Crippen Calculated Property | |
| McVol | 127.940 | ml/mol | McGowan Calculated Property |
| Pc | 2928.17 | kPa | Joback Calculated Property |
| Tboil | 427.20 | K | NIST |
| Tc | 655.31 | K | Relay (1.0) Calculated Property |
| Tfus | 361.31 | K | Relay (1.0) Calculated Property |
| Vc | 0.479 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [269.61; 318.52] | J/mol×K | [474.40; 665.06] | 
|
| Cp,gas | 269.61 | J/mol×K | 474.40 | Joback Calculated Property |
| Cp,gas | 279.66 | J/mol×K | 506.18 | Joback Calculated Property |
| Cp,gas | 288.88 | J/mol×K | 537.95 | Joback Calculated Property |
| Cp,gas | 297.32 | J/mol×K | 569.73 | Joback Calculated Property |
| Cp,gas | 305.04 | J/mol×K | 601.51 | Joback Calculated Property |
| Cp,gas | 312.09 | J/mol×K | 633.29 | Joback Calculated Property |
| Cp,gas | 318.52 | J/mol×K | 665.06 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,5-Bis(trifluoromethyl)bromobenzene.
Sources
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