- InChI
- InChI=1S/C8H6BrF3/c9-7(8(10,11)12)6-4-2-1-3-5-6/h1-5,7H
- InChI Key
- IRICHAOGAOFEQI-UHFFFAOYSA-N
- Formula
- C8H6BrF3
- SMILES
- FC(F)(F)C(Br)c1ccccc1
- Molecular Weight1
- 239.03
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -440.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -547.95 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 37.98 | kJ/mol | Joback Calculated Property |
| log10WS | -3.83 | Crippen Calculated Property | |
| logPoct/wat | 3.685 | Crippen Calculated Property | |
| McVol | 122.630 | ml/mol | McGowan Calculated Property |
| Pc | 3484.76 | kPa | Joback Calculated Property |
| Inp | [1023.00; 1030.00] |
|
|
| Inp | 1023.00 | NIST | |
| Inp | 1030.00 | NIST | |
| Inp | 1030.00 | NIST | |
| Tboil | 469.42 | K | Joback Calculated Property |
| Tc | 681.31 | K | Joback Calculated Property |
| Tfus | 255.33 | K | Joback Calculated Property |
| Vc | 0.474 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [241.21; 299.17] | J/mol×K | [469.42; 681.31] |
|
| Cp,gas | 241.21 | J/mol×K | 469.42 | Joback Calculated Property |
| Cp,gas | 253.08 | J/mol×K | 504.73 | Joback Calculated Property |
| Cp,gas | 263.98 | J/mol×K | 540.05 | Joback Calculated Property |
| Cp,gas | 273.98 | J/mol×K | 575.36 | Joback Calculated Property |
| Cp,gas | 283.14 | J/mol×K | 610.68 | Joback Calculated Property |
| Cp,gas | 291.51 | J/mol×K | 645.99 | Joback Calculated Property |
| Cp,gas | 299.17 | J/mol×K | 681.31 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, (1-bromo-2,2,2-trifluoroethyl).
Sources
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