- InChI
- InChI=1S/C7H4BrF3N2O2/c8-4-1-3(7(9,10)11)2-5(6(4)12)13(14)15/h1-2H,12H2
- InChI Key
- ZUZMWPRSGJTLHW-UHFFFAOYSA-N
- Formula
- C7H4BrF3N2O2
- SMILES
-
Nc1c(Br)cc(C(F)(F)F)cc1[N+](=O
)[O-] - Molecular Weight1
- 285.02
- CAS
- 113170-71-1
- 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° | -373.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -533.41 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.36 | kJ/mol | Joback Calculated Property |
| log10WS | -4.02 | Crippen Calculated Property | |
| logPoct/wat | 2.958 | Crippen Calculated Property | |
| McVol | 135.940 | ml/mol | McGowan Calculated Property |
| Pc | 3995.65 | kPa | Joback Calculated Property |
| Tboil | 686.29 | K | Joback Calculated Property |
| Tc | 934.88 | K | Joback Calculated Property |
| Tfus | 523.49 | K | Joback Calculated Property |
| Vc | 0.535 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [323.20; 359.97] | J/mol×K | [686.29; 934.88] | 
|
| Cp,gas | 323.20 | J/mol×K | 686.29 | Joback Calculated Property |
| Cp,gas | 330.93 | J/mol×K | 727.72 | Joback Calculated Property |
| Cp,gas | 337.92 | J/mol×K | 769.15 | Joback Calculated Property |
| Cp,gas | 344.24 | J/mol×K | 810.59 | Joback Calculated Property |
| Cp,gas | 349.98 | J/mol×K | 852.02 | Joback Calculated Property |
| Cp,gas | 355.19 | J/mol×K | 893.45 | Joback Calculated Property |
| Cp,gas | 359.97 | J/mol×K | 934.88 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Amino-3-bromo-5-nitrobenzotrifluoride.
Sources
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