- InChI
- InChI=1S/C6H4BrCl/c7-5-3-1-2-4-6(5)8/h1-4H
- InChI Key
- QBELEDRHMPMKHP-UHFFFAOYSA-N
- Formula
- C6H4BrCl
- SMILES
- Clc1ccccc1Br
- Molecular Weight1
- 191.45
- CAS
- 694-80-4
- Other Names
-
- 1-Bromo-2-chlorobenzene
- 1-Chloro-2-bromobenzene
- 2-Bromo-1-chlorobenzene
- 2-Bromochlorobenzene
- 2-Chlorobromobenzene
- o-Bromochlorobenzene
- o-Chlorobromobenzene
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (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).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- 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 | 0.2988 | Relay (1.0) Calculated Property | |
| ΔfG° | 104.81 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 86.85 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.88 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.89 | eV | Relay (1.0) Calculated Property |
| log10WS | [-3.19; -3.19] |
|
|
| log10WS | -3.19 | Aq. Solubility Prediction | |
| log10WS | -3.19 | Estimated Solubility | |
| logPoct/wat | 3.103 | Crippen Calculated Property | |
| McVol | 101.380 | ml/mol | McGowan Calculated Property |
| Pc | 4782.59 | kPa | Joback Calculated Property |
| Inp | [188.00; 1137.48] |
|
|
| Inp | 1137.48 | NIST | |
| Inp | 1111.54 | NIST | |
| Inp | 1123.72 | NIST | |
| Inp | 1097.60 | NIST | |
| Inp | 1097.60 | NIST | |
| Inp | 1105.74 | NIST | |
| Inp | 1110.94 | NIST | |
| Inp | 1116.38 | NIST | |
| Inp | 1120.00 | NIST | |
| Inp | 1111.00 | NIST | |
| Inp | 1100.00 | NIST | |
| Inp | 1094.00 | NIST | |
| Inp | Outlier 188.00 | NIST | |
| Inp | 1137.48 | NIST | |
| Inp | Outlier 188.00 | NIST | |
| Inp | 1097.60 | NIST | |
| Inp | 1120.00 | NIST | |
| I | [1633.76; 1665.31] |
|
|
| I | 1665.31 | NIST | |
| I | 1653.05 | NIST | |
| I | 1650.41 | NIST | |
| I | 1633.76 | NIST | |
| Tboil | [468.00; 477.20] | K |
|
| Tboil | 477.20 | K | NIST |
| Tboil | 468.00 | K | NIST |
| Tc | 721.56 | K | Relay (1.0) Calculated Property |
| Tfus | [260.50; 261.00] | K |
|
| Tfus | 260.50 | K | Aq. Solubility Prediction |
| Tfus | 261.00 | K | NIST |
| Tfus | 260.55 ± 0.20 | K | NIST |
| Vc | 0.370 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
Similar Compounds
Find more compounds similar to Benzene, 1-bromo-2-chloro-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
- Joback Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
Take the time to validate and double check the source of the data.
Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.