- InChI
- InChI=1S/C8H5BrClF3/c9-7(8(11,12)13)5-1-3-6(10)4-2-5/h1-4,7H
- InChI Key
- ITNDUQJYMQWYAI-UHFFFAOYSA-N
- Formula
- C8H5BrClF3
- SMILES
- FC(F)(F)C(Br)c1ccc(Cl)cc1
- Molecular Weight1
- 273.48
- 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 | 0.3968 | Relay (1.0) Calculated Property | |
| ΔfG° | -462.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -621.33 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.05 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.45 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.73 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.338 | Crippen Calculated Property | |
| McVol | 134.870 | ml/mol | McGowan Calculated Property |
| Pc | 3280.28 | kPa | Joback Calculated Property |
| Inp | [1206.00; 1206.00] |
|
|
| Inp | 1206.00 | NIST | |
| Inp | 1206.00 | NIST | |
| Tboil | 472.94 | K | Relay (1.0) Calculated Property |
| Tc | 673.16 | K | Relay (1.0) Calculated Property |
| Tfus | 298.88 | K | Relay (1.0) Calculated Property |
| Vc | 0.454 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [265.65; 316.14] | J/mol×K | [511.83; 730.57] |
|
| Cp,gas | 265.65 | J/mol×K | 511.83 | Joback Calculated Property |
| Cp,gas | 276.09 | J/mol×K | 548.29 | Joback Calculated Property |
| Cp,gas | 285.64 | J/mol×K | 584.74 | Joback Calculated Property |
| Cp,gas | 294.35 | J/mol×K | 621.20 | Joback Calculated Property |
| Cp,gas | 302.30 | J/mol×K | 657.65 | Joback Calculated Property |
| Cp,gas | 309.54 | J/mol×K | 694.11 | Joback Calculated Property |
| Cp,gas | 316.14 | J/mol×K | 730.57 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-chloro-4-(1-bromo-2,2,2-trifluoroethyl).
Sources
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