- InChI
- InChI=1S/C9H5BrF6/c10-4-5-1-6(8(11,12)13)3-7(2-5)9(14,15)16/h1-3H,4H2
- InChI Key
- ATLQGZVLWOURFU-UHFFFAOYSA-N
- Formula
- C9H5BrF6
- SMILES
-
FC(F)(F)c1cc(CBr)cc(C(F)(F)F)c
1 - Molecular Weight1
- 307.03
- CAS
- 32247-96-4
- Other Names
-
- 3,5-di(Trifluoromethyl)benzyl bromide
- Benzene, 1-(bromomethyl)-3,5-bis(trifluoromethyl)-
- 1-(bromomethyl)-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).
- Inp : Non-polar retention indices.
- 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 | 0.5168 | Relay (1.0) Calculated Property | |
| ΔfG° | -1030.81 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1218.20 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.12 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.54 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.95 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.619 | Crippen Calculated Property | |
| McVol | 142.030 | ml/mol | McGowan Calculated Property |
| Pc | 2646.11 | kPa | Joback Calculated Property |
| Inp | 1103.00 | NIST | |
| Tboil | 464.01 | K | Relay (1.0) Calculated Property |
| Tc | 676.60 | K | Relay (1.0) Calculated Property |
| Tfus | 391.68 | K | Relay (1.0) Calculated Property |
| Vc | 0.530 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [311.27; 364.89] | J/mol×K | [497.28; 685.79] | 
|
| Cp,gas | 311.27 | J/mol×K | 497.28 | Joback Calculated Property |
| Cp,gas | 322.14 | J/mol×K | 528.70 | Joback Calculated Property |
| Cp,gas | 332.17 | J/mol×K | 560.12 | Joback Calculated Property |
| Cp,gas | 341.41 | J/mol×K | 591.54 | Joback Calculated Property |
| Cp,gas | 349.90 | J/mol×K | 622.95 | Joback Calculated Property |
| Cp,gas | 357.72 | J/mol×K | 654.37 | Joback Calculated Property |
| Cp,gas | 364.89 | J/mol×K | 685.79 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,5-Bis(trifluoromethyl)benzyl bromide.
Sources
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