- InChI
- InChI=1S/C6H3BrF2/c7-5-3-4(8)1-2-6(5)9/h1-3H
- InChI Key
- XCRCSPKQEDMVBO-UHFFFAOYSA-N
- Formula
- C6H3BrF2
- SMILES
- Fc1ccc(F)c(Br)c1
- Molecular Weight1
- 192.99
- CAS
- 399-94-0
- Other Names
-
- 1-Bromo-2,5-difluorobenzene
- 2-Bromo-1,4-difluorobenzene
- 1,4-Difluoro-2-bromobenzene
- 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).
- Tboilr : Boiling point at reduced pressure (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° | -282.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -319.47 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 37.35 | kJ/mol | Joback Calculated Property |
| IE | 9.18 ± 0.02 | eV | NIST |
| log10WS | -3.30 | Crippen Calculated Property | |
| logPoct/wat | 2.727 | Crippen Calculated Property | |
| McVol | 92.680 | ml/mol | McGowan Calculated Property |
| Pc | 4362.63 | kPa | Joback Calculated Property |
| Tboil | 438.02 | K | Joback Calculated Property |
| Tc | 651.05 | K | Joback Calculated Property |
| Tfus | 269.82 | K | Joback Calculated Property |
| Vc | 0.361 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [152.73; 191.05] | J/mol×K | [438.02; 651.05] | 
|
| Cp,gas | 152.73 | J/mol×K | 438.02 | Joback Calculated Property |
| Cp,gas | 160.24 | J/mol×K | 473.53 | Joback Calculated Property |
| Cp,gas | 167.26 | J/mol×K | 509.03 | Joback Calculated Property |
| Cp,gas | 173.84 | J/mol×K | 544.54 | Joback Calculated Property |
| Cp,gas | 179.98 | J/mol×K | 580.04 | Joback Calculated Property |
| Cp,gas | 185.71 | J/mol×K | 615.55 | Joback Calculated Property |
| Cp,gas | 191.05 | J/mol×K | 651.05 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [331.00; 331.70] | K | [2.70; 2.70] |
|
| Tboilr | 331.70 | K | 2.70 | NIST |
| Tboilr | 331.00 | K | 2.70 | NIST |
| Tboilr | 331.00 | K | 2.70 | NIST |
Similar Compounds
Find more compounds similar to Benzene, 2-bromo-1,4-difluoro-.
Sources
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