- InChI
- InChI=1S/C6H4BrCl/c7-5-2-1-3-6(8)4-5/h1-4H
- InChI Key
- JRGGUPZKKTVKOV-UHFFFAOYSA-N
- Formula
- C6H4BrCl
- SMILES
- Clc1cccc(Br)c1
- Molecular Weight1
- 191.45
- CAS
- 108-37-2
- Other Names
-
- 1-Bromo-3-chlorobenzene
- 1-Chloro-3-bromobenzene
- 3-Bromo-1-chlorobenzene
- 3-Bromochlorobenzene
- 3-Chlorobromobenzene
- 3-Chlorophenyl bromide
- NSC 53548
- m-Bromochlorobenzene
- m-Bromophenyl chloride
- m-Chlorobromobenzene
- m-Chlorophenyl bromide
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- Pvap : Vapor pressure (kPa).
- Inp : Non-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 | [-3.21; -3.21] |
|
|
| log10WS | -3.21 | Aq. Sol... | |
| log10WS | -3.21 | Estimat... | |
| logPoct/wat | 3.103 | Crippen Calculated Property | |
| McVol | 101.380 | ml/mol | McGowan Calculated Property |
| Pc | 4782.59 | kPa | Joback Calculated Property |
| Inp | [1179.00; 1179.00] |
|
|
| Inp | 1179.00 | NIST | |
| Inp | 1179.00 | NIST | |
| Tboil | [469.00; 469.20] | K |
|
| Tboil | 469.20 | K | NIST |
| Tboil | 469.00 | K | NIST |
| Tboil | 469.00 ± 0.07 | K | NIST |
| Tc | 716.18 | K | Joback Calculated Property |
| Tfus | [251.40; 252.00] | K |
|
| Tfus | 251.40 | K | Aq. Sol... |
| Tfus | 252.00 | K | NIST |
| Tfus | 251.67 ± 0.05 | K | NIST |
| Tfus | 252.00 ± 2.00 | K | NIST |
| Tfus | 251.95 ± 0.50 | 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 | [171.14; 185.94] | J/mol×K | [283.15; 353.15] |
|
| Cp,liquid | 171.14 | J/mol×K | 283.15 | Heat Ca... |
| Cp,liquid | 171.49 | J/mol×K | 285.15 | Heat Ca... |
| Cp,liquid | 171.84 | J/mol×K | 287.15 | Heat Ca... |
| Cp,liquid | 172.21 | J/mol×K | 289.15 | Heat Ca... |
| Cp,liquid | 172.59 | J/mol×K | 291.15 | Heat Ca... |
| Cp,liquid | 172.97 | J/mol×K | 293.15 | Heat Ca... |
| Cp,liquid | 173.36 | J/mol×K | 295.15 | Heat Ca... |
| Cp,liquid | 173.75 | J/mol×K | 297.15 | Heat Ca... |
| Cp,liquid | 181.90 | J/mol×K | 298.15 | NIST |
| Cp,liquid | 174.15 | J/mol×K | 299.15 | Heat Ca... |
| Cp,liquid | 174.56 | J/mol×K | 301.15 | Heat Ca... |
| Cp,liquid | 174.98 | J/mol×K | 303.15 | Heat Ca... |
| Cp,liquid | 175.40 | J/mol×K | 305.15 | Heat Ca... |
| Cp,liquid | 175.82 | J/mol×K | 307.15 | Heat Ca... |
| Cp,liquid | 176.25 | J/mol×K | 309.15 | Heat Ca... |
| Cp,liquid | 176.68 | J/mol×K | 311.15 | Heat Ca... |
| Cp,liquid | 177.12 | J/mol×K | 313.15 | Heat Ca... |
| Cp,liquid | 177.56 | J/mol×K | 315.15 | Heat Ca... |
| Cp,liquid | 178.00 | J/mol×K | 317.15 | Heat Ca... |
| Cp,liquid | 178.44 | J/mol×K | 319.15 | Heat Ca... |
| Cp,liquid | 178.89 | J/mol×K | 321.15 | Heat Ca... |
| Cp,liquid | 179.33 | J/mol×K | 323.15 | Heat Ca... |
| Cp,liquid | 179.78 | J/mol×K | 325.15 | Heat Ca... |
| Cp,liquid | 180.23 | J/mol×K | 327.15 | Heat Ca... |
| Cp,liquid | 180.68 | J/mol×K | 329.15 | Heat Ca... |
| Cp,liquid | 181.13 | J/mol×K | 331.15 | Heat Ca... |
| Cp,liquid | 181.58 | J/mol×K | 333.15 | Heat Ca... |
| Cp,liquid | 182.03 | J/mol×K | 335.15 | Heat Ca... |
| Cp,liquid | 182.47 | J/mol×K | 337.15 | Heat Ca... |
| Cp,liquid | 182.92 | J/mol×K | 339.15 | Heat Ca... |
| Cp,liquid | 183.36 | J/mol×K | 341.15 | Heat Ca... |
| Cp,liquid | 183.80 | J/mol×K | 343.15 | Heat Ca... |
| Cp,liquid | 184.24 | J/mol×K | 345.15 | Heat Ca... |
| Cp,liquid | 184.67 | J/mol×K | 347.15 | Heat Ca... |
| Cp,liquid | 185.10 | J/mol×K | 349.15 | Heat Ca... |
| Cp,liquid | 185.52 | J/mol×K | 351.15 | Heat Ca... |
| Cp,liquid | 185.94 | 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 | [12.29; 12.29] | kJ/mol | [251.95; 252.00] |
|
| ΔfusH | 12.29 | kJ/mol | 251.95 | NIST |
| ΔfusH | 12.29 | kJ/mol | 252.00 | NIST |
| ΔvapH | 52.20 | kJ/mol | 360.50 | NIST |
| ΔfusS | 48.80 | J/mol×K | 251.95 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [0.19; 202.64] | kPa | [308.00; 499.80] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.49420e+01 | |||
| Coefficient B | -4.39672e+03 | |||
| Coefficient C | -4.32640e+01 | |||
| Temperature range, min. | 308.00 | |||
| Temperature range, max. | 499.80 | |||
| Pvap | 0.19 | kPa | 308.00 | Calculated Property |
| Pvap | 0.65 | kPa | 329.31 | Calculated Property |
| Pvap | 1.89 | kPa | 350.62 | Calculated Property |
| Pvap | 4.78 | kPa | 371.93 | Calculated Property |
| Pvap | 10.80 | kPa | 393.24 | Calculated Property |
| Pvap | 22.21 | kPa | 414.56 | Calculated Property |
| Pvap | 42.23 | kPa | 435.87 | Calculated Property |
| Pvap | 75.17 | kPa | 457.18 | Calculated Property |
| Pvap | 126.45 | kPa | 478.49 | Calculated Property |
| Pvap | 202.64 | kPa | 499.80 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-bromo-3-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
- The Yaws Handbook of Vapor Pressure
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