- InChI
- InChI=1S/C7H4BrClF3N/c8-4-1-3(7(10,11)12)2-5(9)6(4)13/h1-2H,13H2
- InChI Key
- OVJCOPVKCCJSFE-UHFFFAOYSA-N
- Formula
- C7H4BrClF3N
- SMILES
- Nc1c(Cl)cc(C(F)(F)F)cc1Br
- Molecular Weight1
- 274.47
- CAS
- 109919-26-8
- 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).
- 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° | -421.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -538.39 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.15 | kJ/mol | Joback Calculated Property |
| log10WS | -4.06 | Crippen Calculated Property | |
| logPoct/wat | 3.704 | Crippen Calculated Property | |
| McVol | 130.760 | ml/mol | McGowan Calculated Property |
| Pc | 3759.17 | kPa | Joback Calculated Property |
| Tboil | 571.88 | K | Joback Calculated Property |
| Tc | 801.07 | K | Joback Calculated Property |
| Tfus | 409.80 | K | Joback Calculated Property |
| Vc | 0.502 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [268.80; 307.77] | J/mol×K | [571.88; 801.07] | 
|
| Cp,gas | 268.80 | J/mol×K | 571.88 | Joback Calculated Property |
| Cp,gas | 276.86 | J/mol×K | 610.08 | Joback Calculated Property |
| Cp,gas | 284.22 | J/mol×K | 648.28 | Joback Calculated Property |
| Cp,gas | 290.93 | J/mol×K | 686.48 | Joback Calculated Property |
| Cp,gas | 297.06 | J/mol×K | 724.67 | Joback Calculated Property |
| Cp,gas | 302.65 | J/mol×K | 762.87 | Joback Calculated Property |
| Cp,gas | 307.77 | J/mol×K | 801.07 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Amino-3-bromo-5-chlorobenzotrifluoride.
Sources
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