- InChI
- InChI=1S/C7H4BrF3/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4H
- InChI Key
- XLQSXGGDTHANLN-UHFFFAOYSA-N
- Formula
- C7H4BrF3
- SMILES
- FC(F)(F)c1ccc(Br)cc1
- Molecular Weight1
- 225.01
- CAS
- 402-43-7
- Other Names
-
- Toluene, p-bromo-«alpha»,«alpha»,«alpha»-trifluoro-
- p-(Trifluoromethyl)bromobenzene
- p-Bromo-«alpha»,«alpha»,«alpha»-trifluorotoluene
- p-Bromobenzotrifluoride
- para-Bromobenzotrifluoride
- 1-Bromo-4-(trifluoromethyl)benzene
- 4-Bromobenzotrifluoride
- 4-Trifluoromethylbromobenzene
- 4-Bromo-«alpha»,«alpha»,«alpha»-trifluorotoluene
- 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 | 0.3408 | Relay (... Calculated Property | |
| ΔfG° | -456.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -561.31 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 14.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.04 | kJ/mol | Relay (... Calculated Property |
| IE | [9.48; 9.55] | eV |
|
| IE | 9.48 | eV | NIST |
| IE | 9.55 | eV | NIST |
| log10WS | -3.27 | Relay (... Calculated Property | |
| logPoct/wat | 3.468 | Crippen Calculated Property | |
| McVol | 108.540 | ml/mol | McGowan Calculated Property |
| Pc | 3805.69 | kPa | Joback Calculated Property |
| Inp | [916.10; 916.10] |
|
|
| Inp | 916.10 | NIST | |
| Inp | 916.10 | NIST | |
| Inp | 916.10 | NIST | |
| Tboil | [427.50; 427.70] | K |
|
| Tboil | 427.50 ± 0.50 | K | NIST |
| Tboil | 427.50 ± 0.50 | K | NIST |
| Tboil | 427.70 | K | NIST |
| Tc | 626.21 | K | Relay (... Calculated Property |
| Tfus | 324.21 | K | Relay (... Calculated Property |
| Vc | 0.381 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [201.47; 250.07] | J/mol×K | [451.96; 663.16] |
|
| Cp,gas | 201.47 | J/mol×K | 451.96 | Joback Calculated Property |
| Cp,gas | 211.43 | J/mol×K | 487.16 | Joback Calculated Property |
| Cp,gas | 220.58 | J/mol×K | 522.36 | Joback Calculated Property |
| Cp,gas | 228.96 | J/mol×K | 557.56 | Joback Calculated Property |
| Cp,gas | 236.64 | J/mol×K | 592.76 | Joback Calculated Property |
| Cp,gas | 243.66 | J/mol×K | 627.96 | Joback Calculated Property |
| Cp,gas | 250.07 | J/mol×K | 663.16 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-bromo-4-(trifluoromethyl)-.
Sources
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