- InChI
- InChI=1S/C6H3Br2F/c7-4-1-2-6(9)5(8)3-4/h1-3H
- InChI Key
- MKHDDTWHDFVYDQ-UHFFFAOYSA-N
- Formula
- C6H3Br2F
- SMILES
- Fc1ccc(Br)cc1Br
- Molecular Weight1
- 253.89
- CAS
- 1435-53-6
- Other Names
-
- 2,4-Dibromofluorobenzene
- 1-Fluoro-2,4-dibromobenzene
- Benzene, 2,4-dibromo-1-fluoro-
- 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° | -73.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -97.03 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.60 | kJ/mol | Joback Calculated Property |
| IE | 9.05 ± 0.02 | eV | NIST |
| log10WS | -4.13 | Crippen Calculated Property | |
| logPoct/wat | 3.351 | Crippen Calculated Property | |
| McVol | 108.410 | ml/mol | McGowan Calculated Property |
| Pc | 5102.04 | kPa | Joback Calculated Property |
| Tboil | 504.91 | K | Joback Calculated Property |
| Tc | 748.62 | K | Joback Calculated Property |
| Tfus | 329.03 | K | Joback Calculated Property |
| Vc | 0.406 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [171.55; 206.91] | J/mol×K | [504.91; 748.62] | 
|
| Cp,gas | 171.55 | J/mol×K | 504.91 | Joback Calculated Property |
| Cp,gas | 178.77 | J/mol×K | 545.53 | Joback Calculated Property |
| Cp,gas | 185.41 | J/mol×K | 586.15 | Joback Calculated Property |
| Cp,gas | 191.50 | J/mol×K | 626.77 | Joback Calculated Property |
| Cp,gas | 197.08 | J/mol×K | 667.39 | Joback Calculated Property |
| Cp,gas | 202.20 | J/mol×K | 708.00 | Joback Calculated Property |
| Cp,gas | 206.91 | J/mol×K | 748.62 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 380.70 | K | 2.90 | NIST |
Similar Compounds
Find more compounds similar to 2,4-Dibromo-1-fluorobenzene.
Sources
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