- InChI
- InChI=1S/C7H4Br2F3N/c8-4-1-3(7(10,11)12)2-5(9)6(4)13/h1-2H,13H2
- InChI Key
- DRSMEHXBOXHXDX-UHFFFAOYSA-N
- Formula
- C7H4Br2F3N
- SMILES
- Nc1c(Br)cc(C(F)(F)F)cc1Br
- Molecular Weight1
- 318.92
- CAS
- 72678-19-4
- 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° | -394.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -496.32 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.35 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.20 | kJ/mol | Joback Calculated Property |
| log10WS | -4.53 | Crippen Calculated Property | |
| logPoct/wat | 3.813 | Crippen Calculated Property | |
| McVol | 136.020 | ml/mol | McGowan Calculated Property |
| Pc | 4299.92 | kPa | Joback Calculated Property |
| Tboil | 600.61 | K | Joback Calculated Property |
| Tc | 839.21 | K | Joback Calculated Property |
| Tfus | 439.68 | K | Joback Calculated Property |
| Vc | 0.515 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [276.13; 313.02] | J/mol×K | [600.61; 839.21] | 
|
| Cp,gas | 276.13 | J/mol×K | 600.61 | Joback Calculated Property |
| Cp,gas | 283.84 | J/mol×K | 640.38 | Joback Calculated Property |
| Cp,gas | 290.82 | J/mol×K | 680.14 | Joback Calculated Property |
| Cp,gas | 297.17 | J/mol×K | 719.91 | Joback Calculated Property |
| Cp,gas | 302.93 | J/mol×K | 759.68 | Joback Calculated Property |
| Cp,gas | 308.19 | J/mol×K | 799.45 | Joback Calculated Property |
| Cp,gas | 313.02 | J/mol×K | 839.21 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Amino-3,5-dibromobenzotrifluoride.
Sources
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