- 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
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 104.81 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 68.48 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.71 | kJ/mol | Joback Calculated Property |
| log10WS | [-3.19; -3.19] |
|
|
| log10WS | -3.19 | Aq. Sol... | |
| log10WS | -3.19 | Estimat... | |
| 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 | 716.18 | K | Joback Calculated Property |
| Tfus | [260.50; 261.00] | K |
|
| Tfus | 260.50 | K | Aq. Sol... |
| Tfus | 261.00 | K | NIST |
| Tfus | 260.55 ± 0.20 | K | NIST |
| Vc | 0.374 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [156.69; 197.22] | J/mol×K | [471.93; 716.18] |
|
| Cp,gas | 156.69 | J/mol×K | 471.93 | Joback Calculated Property |
| Cp,gas | 164.95 | J/mol×K | 512.64 | Joback Calculated Property |
| Cp,gas | 172.55 | J/mol×K | 553.35 | Joback Calculated Property |
| Cp,gas | 179.54 | J/mol×K | 594.05 | Joback Calculated Property |
| Cp,gas | 185.95 | J/mol×K | 634.76 | Joback Calculated Property |
| Cp,gas | 191.83 | J/mol×K | 675.47 | Joback Calculated Property |
| Cp,gas | 197.22 | J/mol×K | 716.18 | Joback Calculated Property |
| Cp,liquid | [172.25; 186.53] | J/mol×K | [283.15; 353.15] |
|
| Cp,liquid | 172.25 | J/mol×K | 283.15 | Heat Ca... |
| Cp,liquid | 172.59 | J/mol×K | 285.15 | Heat Ca... |
| Cp,liquid | 172.94 | J/mol×K | 287.15 | Heat Ca... |
| Cp,liquid | 173.29 | J/mol×K | 289.15 | Heat Ca... |
| Cp,liquid | 173.65 | J/mol×K | 291.15 | Heat Ca... |
| Cp,liquid | 174.02 | J/mol×K | 293.15 | Heat Ca... |
| Cp,liquid | 174.39 | J/mol×K | 295.15 | Heat Ca... |
| Cp,liquid | 174.78 | J/mol×K | 297.15 | Heat Ca... |
| Cp,liquid | 176.90 | J/mol×K | 298.15 | NIST |
| Cp,liquid | 175.17 | J/mol×K | 299.15 | Heat Ca... |
| Cp,liquid | 175.56 | J/mol×K | 301.15 | Heat Ca... |
| Cp,liquid | 175.96 | J/mol×K | 303.15 | Heat Ca... |
| Cp,liquid | 176.36 | J/mol×K | 305.15 | Heat Ca... |
| Cp,liquid | 176.77 | J/mol×K | 307.15 | Heat Ca... |
| Cp,liquid | 177.19 | J/mol×K | 309.15 | Heat Ca... |
| Cp,liquid | 177.61 | J/mol×K | 311.15 | Heat Ca... |
| Cp,liquid | 178.03 | J/mol×K | 313.15 | Heat Ca... |
| Cp,liquid | 178.45 | J/mol×K | 315.15 | Heat Ca... |
| Cp,liquid | 178.88 | J/mol×K | 317.15 | Heat Ca... |
| Cp,liquid | 179.31 | J/mol×K | 319.15 | Heat Ca... |
| Cp,liquid | 179.74 | J/mol×K | 321.15 | Heat Ca... |
| Cp,liquid | 180.17 | J/mol×K | 323.15 | Heat Ca... |
| Cp,liquid | 180.60 | J/mol×K | 325.15 | Heat Ca... |
| Cp,liquid | 181.03 | J/mol×K | 327.15 | Heat Ca... |
| Cp,liquid | 181.47 | J/mol×K | 329.15 | Heat Ca... |
| Cp,liquid | 181.90 | J/mol×K | 331.15 | Heat Ca... |
| Cp,liquid | 182.33 | J/mol×K | 333.15 | Heat Ca... |
| Cp,liquid | 182.77 | J/mol×K | 335.15 | Heat Ca... |
| Cp,liquid | 183.20 | J/mol×K | 337.15 | Heat Ca... |
| Cp,liquid | 183.62 | J/mol×K | 339.15 | Heat Ca... |
| Cp,liquid | 184.05 | J/mol×K | 341.15 | Heat Ca... |
| Cp,liquid | 184.47 | J/mol×K | 343.15 | Heat Ca... |
| Cp,liquid | 184.89 | J/mol×K | 345.15 | Heat Ca... |
| Cp,liquid | 185.31 | J/mol×K | 347.15 | Heat Ca... |
| Cp,liquid | 185.72 | J/mol×K | 349.15 | Heat Ca... |
| Cp,liquid | 186.13 | J/mol×K | 351.15 | Heat Ca... |
| Cp,liquid | 186.53 | J/mol×K | 353.15 | Heat Ca... |
| η | [0.0003355; 0.0020482] | Pa×s | [286.04; 471.93] |
|
| η | 0.0020482 | Pa×s | 286.04 | Joback Calculated Property |
| η | 0.0013076 | Pa×s | 317.02 | Joback Calculated Property |
| η | 0.0009042 | Pa×s | 348.00 | Joback Calculated Property |
| η | 0.0006641 | Pa×s | 378.99 | Joback Calculated Property |
| η | 0.0005111 | Pa×s | 409.97 | Joback Calculated Property |
| η | 0.0004080 | Pa×s | 440.95 | Joback Calculated Property |
| η | 0.0003355 | Pa×s | 471.93 | Joback Calculated Property |
| ΔfusH | [12.37; 12.37] | kJ/mol | [260.55; 260.60] |
|
| ΔfusH | 12.37 | kJ/mol | 260.55 | NIST |
| ΔfusH | 12.37 | kJ/mol | 260.60 | NIST |
| ΔfusS | 47.50 | J/mol×K | 260.55 | NIST |
Similar Compounds
Find more compounds similar to Benzene, 1-bromo-2-chloro-.
Sources
- 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
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.