- InChI
- InChI=1S/C6H4BrF/c7-5-2-1-3-6(8)4-5/h1-4H
- InChI Key
- QDFKKJYEIFBEFC-UHFFFAOYSA-N
- Formula
- C6H4BrF
- SMILES
- Fc1cccc(Br)c1
- Molecular Weight1
- 175.00
- CAS
- 1073-06-9
- Other Names
-
- 1-Bromo-3-fluorobenzene
- 1-Fluoro-3-bromobenzene
- 3-Bromfluorbenzen
- 3-Bromofluorobenzene
- Benzene, 1-fluoro-3-bromo-
- NSC 10267
- m-Bromofluorobenzene
- m-Fluorobromobenzene
- m-Fluorophenyl bromide
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- Inp : Non-polar retention indices.
- 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° | -78.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -111.89 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 13.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 37.51 | kJ/mol | Joback Calculated Property |
| IE | [9.11; 9.25] | eV |
|
| IE | 9.11 ± 0.02 | eV | NIST |
| IE | 9.25 | eV | NIST |
| log10WS | [-2.67; -2.67] |
|
|
| log10WS | -2.67 | Aq. Sol... | |
| log10WS | -2.67 | Estimat... | |
| logPoct/wat | 2.588 | Crippen Calculated Property | |
| McVol | 90.910 | ml/mol | McGowan Calculated Property |
| Pc | 4730.11 | kPa | Joback Calculated Property |
| Inp | 932.80 | NIST | |
| Tboil | [423.00; 423.20] | K |
|
| Tboil | 423.00 | K | NIST |
| Tboil | 423.20 | K | NIST |
| Tc | 657.79 | K | Joback Calculated Property |
| Tfus | 256.71 | K | Joback Calculated Property |
| Vc | 0.344 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [144.15; 186.59] | J/mol×K | [433.77; 657.79] |
|
| Cp,gas | 144.15 | J/mol×K | 433.77 | Joback Calculated Property |
| Cp,gas | 152.60 | J/mol×K | 471.11 | Joback Calculated Property |
| Cp,gas | 160.46 | J/mol×K | 508.44 | Joback Calculated Property |
| Cp,gas | 167.76 | J/mol×K | 545.78 | Joback Calculated Property |
| Cp,gas | 174.52 | J/mol×K | 583.12 | Joback Calculated Property |
| Cp,gas | 180.79 | J/mol×K | 620.45 | Joback Calculated Property |
| Cp,gas | 186.59 | J/mol×K | 657.79 | Joback Calculated Property |
| ΔvapH | 44.30 | kJ/mol | 298.15 | Vaporiz... |
Similar Compounds
Find more compounds similar to Benzene, 1-bromo-3-fluoro-.
Sources
- Crippen Method
- Vaporization enthalpies of a series of the halogen-substituted fluorobenzenes
- Joback Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
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