- InChI
- InChI=1S/C6H4BrF/c7-5-3-1-2-4-6(5)8/h1-4H
- InChI Key
- IPWBFGUBXWMIPR-UHFFFAOYSA-N
- Formula
- C6H4BrF
- SMILES
- Fc1ccccc1Br
- Molecular Weight1
- 175.00
- CAS
- 1072-85-1
- Other Names
-
- 1,2-Fluorobromobenzene
- 1-Bromo-2-fluorobenzene
- 1-Fluoro-2-bromobenzene
- 2-Bromfluorbenzen
- 2-Bromofluorobenzene
- 2-Fluorobromobenzene
- 2-Fluorophenyl bromide
- Benzene, 1-fluoro-2-bromo-
- NSC 59696
- o-Bromofluorobenzene
- o-Fluorobromobenzene
- 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).
- 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 |
|---|---|---|---|
| ω | 0.2816 | Relay (1.0) Calculated Property | |
| ΔfG° | -78.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -78.14 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.24 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [9.11; 9.14] | eV |
|
| IE | 9.11 ± 0.02 | eV | NIST |
| IE | 9.14 | eV | NIST |
| log10WS | [-2.70; -2.70] |
|
|
| log10WS | -2.70 | Aq. Solubility Prediction | |
| log10WS | -2.70 | Estimated Solubility | |
| logPoct/wat | 2.588 | Crippen Calculated Property | |
| McVol | 90.910 | ml/mol | McGowan Calculated Property |
| Pc | 4730.11 | kPa | Joback Calculated Property |
| Inp | [934.00; 959.60] |
|
|
| Inp | 934.00 | NIST | |
| Inp | 959.60 | NIST | |
| Inp | 959.60 | NIST | |
| Inp | 934.00 | NIST | |
| Tboil | 429.00 | K | NIST |
| Tc | 652.41 | K | Relay (1.0) Calculated Property |
| Tfus | 220.54 | K | Relay (1.0) Calculated Property |
| Vc | 0.334 | m3/kmol | Relay (1.0) 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 | 47.00 | kJ/mol | 298.15 | Vaporization enthalpies of a series of the halogen-substituted fluorobenzenes |
Similar Compounds
Find more compounds similar to Benzene, 1-bromo-2-fluoro-.
Sources
- Cheméo Relay (1.0)
- 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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