- InChI
- InChI=1S/C6H2BrF2NO2/c7-3-1-5(9)6(10(11)12)2-4(3)8/h1-2H
- InChI Key
- GJFYMYJYPARISZ-UHFFFAOYSA-N
- Formula
- C6H2BrF2NO2
- SMILES
- O=[N+]([O-])c1cc(F)c(Br)cc1F
- Molecular Weight1
- 237.99
- CAS
- 167415-27-2
- 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).
- 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 | 0.5145 | Relay (1.0) Calculated Property | |
| ΔfG° | -256.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -247.64 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.35 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.91 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.91 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.635 | Crippen Calculated Property | |
| McVol | 110.100 | ml/mol | McGowan Calculated Property |
| Pc | 4345.39 | kPa | Joback Calculated Property |
| Tboil | 504.68 | K | Relay (1.0) Calculated Property |
| Tc | 771.20 | K | Relay (1.0) Calculated Property |
| Tfus | 346.85 | K | Relay (1.0) Calculated Property |
| Vc | 0.388 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [220.82; 256.09] | J/mol×K | [594.84; 840.05] | 
|
| Cp,gas | 220.82 | J/mol×K | 594.84 | Joback Calculated Property |
| Cp,gas | 228.02 | J/mol×K | 635.71 | Joback Calculated Property |
| Cp,gas | 234.64 | J/mol×K | 676.58 | Joback Calculated Property |
| Cp,gas | 240.73 | J/mol×K | 717.44 | Joback Calculated Property |
| Cp,gas | 246.32 | J/mol×K | 758.31 | Joback Calculated Property |
| Cp,gas | 251.42 | J/mol×K | 799.18 | Joback Calculated Property |
| Cp,gas | 256.09 | J/mol×K | 840.05 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Bromo-2,5-difluoronitrobenzene.
Sources
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