- InChI
- InChI=1S/C8H6BrF3/c9-5-6-3-1-2-4-7(6)8(10,11)12/h1-4H,5H2
- InChI Key
- TXVVVEUSVBLDED-UHFFFAOYSA-N
- Formula
- C8H6BrF3
- SMILES
- FC(F)(F)c1ccccc1CBr
- Molecular Weight1
- 239.03
- CAS
- 395-44-8
- Other Names
-
- o-Trifluoromethylbenzyl bromide
- Benzene, 1-(bromomethyl)-2-(trifluoromethyl)-
- 1-(bromomethyl)-2-(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).
- Tboilr : Boiling point at reduced pressure (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 | 0.4340 | Relay (1.0) Calculated Property | |
| ΔfG° | -448.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -592.35 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.15 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.46 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.03 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.600 | Crippen Calculated Property | |
| McVol | 122.630 | ml/mol | McGowan Calculated Property |
| Pc | 3392.03 | kPa | Joback Calculated Property |
| Tboil | 467.92 | K | Relay (1.0) Calculated Property |
| Tc | 653.99 | K | Relay (1.0) Calculated Property |
| Tfus | 281.69 | K | Relay (1.0) Calculated Property |
| Vc | 0.433 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [241.25; 295.85] | J/mol×K | [474.84; 683.15] | 
|
| Cp,gas | 241.25 | J/mol×K | 474.84 | Joback Calculated Property |
| Cp,gas | 252.29 | J/mol×K | 509.56 | Joback Calculated Property |
| Cp,gas | 262.49 | J/mol×K | 544.28 | Joback Calculated Property |
| Cp,gas | 271.89 | J/mol×K | 578.99 | Joback Calculated Property |
| Cp,gas | 280.55 | J/mol×K | 613.71 | Joback Calculated Property |
| Cp,gas | 288.52 | J/mol×K | 648.43 | Joback Calculated Property |
| Cp,gas | 295.85 | J/mol×K | 683.15 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 344.00 ± 1.00 | K | 0.90 | NIST |
Similar Compounds
Find more compounds similar to 2-Trifluoromethylbenzyl bromide.
Sources
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