- InChI
- InChI=1S/C6H4BrF2N/c7-4-1-3(8)2-5(9)6(4)10/h1-2H,10H2
- InChI Key
- WUJKFVGKLTWVSQ-UHFFFAOYSA-N
- Formula
- C6H4BrF2N
- SMILES
- Nc1c(F)cc(F)cc1Br
- Molecular Weight1
- 208.00
- CAS
- 444-14-4
- Other Names
-
- Benzenamine, 2-bromo-4,6-difluoro-
- 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° | -225.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -297.15 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.65 | kJ/mol | Joback Calculated Property |
| log10WS | -2.93 | Crippen Calculated Property | |
| logPoct/wat | 2.310 | Crippen Calculated Property | |
| McVol | 102.660 | ml/mol | McGowan Calculated Property |
| Pc | 4615.13 | kPa | Joback Calculated Property |
| Tboil | 515.53 | K | Joback Calculated Property |
| Tc | 741.84 | K | Joback Calculated Property |
| Tfus | 365.60 | K | Joback Calculated Property |
| Vc | 0.391 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [194.91; 233.00] | J/mol×K | [515.53; 741.84] | 
|
| Cp,gas | 194.91 | J/mol×K | 515.53 | Joback Calculated Property |
| Cp,gas | 202.38 | J/mol×K | 553.25 | Joback Calculated Property |
| Cp,gas | 209.38 | J/mol×K | 590.97 | Joback Calculated Property |
| Cp,gas | 215.92 | J/mol×K | 628.68 | Joback Calculated Property |
| Cp,gas | 222.02 | J/mol×K | 666.40 | Joback Calculated Property |
| Cp,gas | 227.71 | J/mol×K | 704.12 | Joback Calculated Property |
| Cp,gas | 233.00 | J/mol×K | 741.84 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Bromo-4,6-difluoroaniline.
Sources
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