- InChI
- InChI=1S/C6H4Br2/c7-5-2-1-3-6(8)4-5/h1-4H
- InChI Key
- JSRLURSZEMLAFO-UHFFFAOYSA-N
- Formula
- C6H4Br2
- SMILES
- Brc1cccc(Br)c1
- Molecular Weight1
- 235.90
- CAS
- 108-36-1
- Other Names
-
- 1,3-DIBROMOBENZENE
- Benzene, m-dibromo-
- m-Dibromobenzene
- 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).
- ΔfH°(+) ion : Enthalpy of formation of positive ion at standard conditions (kJ/mol).
- ΔfH(+) ion,0K : Enthalpy of formation of positive ion at 0K (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).
- 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).
- Pvap : Vapor 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).
- Tboilr : Boiling point at reduced pressure (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° | 131.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 110.55 | kJ/mol | Joback Calculated Property |
| ΔfH°(+) ion | 1000.00 ± 10.00 | kJ/mol | NIST |
| ΔfH(+) ion,0K | 1020.00 ± 10.00 | kJ/mol | NIST |
| ΔfusH° | 15.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.76 | kJ/mol | Joback Calculated Property |
| IE | [8.85; 9.10] | eV |
|
| IE | 9.01 ± 0.05 | eV | NIST |
| IE | 9.01 ± 0.02 | eV | NIST |
| IE | 8.95 ± 0.02 | eV | NIST |
| IE | Outlier 8.85 | eV | NIST |
| IE | 9.07 | eV | NIST |
| IE | 9.05 ± 0.03 | eV | NIST |
| IE | 9.10 | eV | NIST |
| log10WS | [-3.54; -3.54] |
|
|
| log10WS | -3.54 | Aq. Sol... | |
| log10WS | -3.54 | Estimat... | |
| logPoct/wat | 3.212 | Crippen Calculated Property | |
| McVol | 106.640 | ml/mol | McGowan Calculated Property |
| Pc | 5569.17 | kPa | Joback Calculated Property |
| Inp | [1162.20; 1197.00] |
|
|
| Inp | 1197.00 | NIST | |
| Inp | 1162.20 | NIST | |
| Inp | 1190.00 | NIST | |
| Inp | 1190.00 | NIST | |
| Inp | 1197.00 | NIST | |
| Inp | 1197.00 | NIST | |
| Inp | 1162.20 | NIST | |
| I | [1756.00; 1756.00] |
|
|
| I | 1756.00 | NIST | |
| I | 1756.00 | NIST | |
| Tboil | 491.20 | K | NIST |
| Tc | 757.23 | K | Joback Calculated Property |
| Tfus | [266.00; 266.25] | K |
|
| Tfus | 266.00 ± 1.50 | K | NIST |
| Tfus | 266.25 ± 0.50 | K | NIST |
| Vc | 0.388 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [163.98; 202.93] | J/mol×K | [500.66; 757.23] |
|
|
T(K) Ideal gas heat capacity (J/mol×K) 170 180 190 200 500 600 700 | ||||
| Cp,gas | 163.98 | J/mol×K | 500.66 | Joback Calculated Property |
| Cp,gas | 172.09 | J/mol×K | 543.42 | Joback Calculated Property |
| Cp,gas | 179.47 | J/mol×K | 586.18 | Joback Calculated Property |
| Cp,gas | 186.19 | J/mol×K | 628.94 | Joback Calculated Property |
| Cp,gas | 192.30 | J/mol×K | 671.70 | Joback Calculated Property |
| Cp,gas | 197.86 | J/mol×K | 714.47 | Joback Calculated Property |
| Cp,gas | 202.93 | J/mol×K | 757.23 | Joback Calculated Property |
| Cp,liquid | [176.01; 192.00] | J/mol×K | [283.15; 353.15] |
|
|
T(K) Liquid phase heat capacity (J/mol×K) 175 180 185 190 300 320 340 | ||||
| Cp,liquid | 176.01 | J/mol×K | 283.15 | Heat Ca... |
| Cp,liquid | 176.40 | J/mol×K | 285.15 | Heat Ca... |
| Cp,liquid | 176.71 | J/mol×K | 287.15 | Heat Ca... |
| Cp,liquid | 177.04 | J/mol×K | 289.15 | Heat Ca... |
| Cp,liquid | 177.38 | J/mol×K | 291.15 | Heat Ca... |
| Cp,liquid | 177.72 | J/mol×K | 293.15 | Heat Ca... |
| Cp,liquid | 178.08 | J/mol×K | 295.15 | Heat Ca... |
| Cp,liquid | 178.44 | J/mol×K | 297.15 | Heat Ca... |
| Cp,liquid | 192.00 | J/mol×K | 298.15 | NIST |
| Cp,liquid | 178.81 | J/mol×K | 299.15 | Heat Ca... |
| Cp,liquid | 179.19 | J/mol×K | 301.15 | Heat Ca... |
| Cp,liquid | 179.58 | J/mol×K | 303.15 | Heat Ca... |
| Cp,liquid | 179.97 | J/mol×K | 305.15 | Heat Ca... |
| Cp,liquid | 180.37 | J/mol×K | 307.15 | Heat Ca... |
| Cp,liquid | 180.78 | J/mol×K | 309.15 | Heat Ca... |
| Cp,liquid | 181.19 | J/mol×K | 311.15 | Heat Ca... |
| Cp,liquid | 181.60 | J/mol×K | 313.15 | Heat Ca... |
| Cp,liquid | 182.01 | J/mol×K | 315.15 | Heat Ca... |
| Cp,liquid | 182.43 | J/mol×K | 317.15 | Heat Ca... |
| Cp,liquid | 182.85 | J/mol×K | 319.15 | Heat Ca... |
| Cp,liquid | 183.28 | J/mol×K | 321.15 | Heat Ca... |
| Cp,liquid | 183.70 | J/mol×K | 323.15 | Heat Ca... |
| Cp,liquid | 184.13 | J/mol×K | 325.15 | Heat Ca... |
| Cp,liquid | 184.55 | J/mol×K | 327.15 | Heat Ca... |
| Cp,liquid | 184.98 | J/mol×K | 329.15 | Heat Ca... |
| Cp,liquid | 185.40 | J/mol×K | 331.15 | Heat Ca... |
| Cp,liquid | 185.83 | J/mol×K | 333.15 | Heat Ca... |
| Cp,liquid | 186.25 | J/mol×K | 335.15 | Heat Ca... |
| Cp,liquid | 186.67 | J/mol×K | 337.15 | Heat Ca... |
| Cp,liquid | 187.08 | J/mol×K | 339.15 | Heat Ca... |
| Cp,liquid | 187.49 | J/mol×K | 341.15 | Heat Ca... |
| Cp,liquid | 187.90 | J/mol×K | 343.15 | Heat Ca... |
| Cp,liquid | 188.30 | J/mol×K | 345.15 | Heat Ca... |
| Cp,liquid | 188.70 | J/mol×K | 347.15 | Heat Ca... |
| Cp,liquid | 189.09 | J/mol×K | 349.15 | Heat Ca... |
| Cp,liquid | 189.47 | J/mol×K | 351.15 | Heat Ca... |
| Cp,liquid | 189.85 | J/mol×K | 353.15 | Heat Ca... |
| η | [0.0003533; 0.0018711] | Pa×s | [315.92; 500.66] |
|
|
T(K) Dynamic viscosity (Pa×s) 5.00e-4 1.00e-3 1.50e-3 2.00e-3 350 400 450 500 | ||||
| η | 0.0018711 | Pa×s | 315.92 | Joback Calculated Property |
| η | 0.0012528 | Pa×s | 346.71 | Joback Calculated Property |
| η | 0.0008955 | Pa×s | 377.50 | Joback Calculated Property |
| η | 0.0006734 | Pa×s | 408.29 | Joback Calculated Property |
| η | 0.0005270 | Pa×s | 439.08 | Joback Calculated Property |
| η | 0.0004259 | Pa×s | 469.87 | Joback Calculated Property |
| η | 0.0003533 | Pa×s | 500.66 | Joback Calculated Property |
| ΔfusH | [13.21; 14.22] | kJ/mol | [266.25; 266.30] |
|
| ΔfusH | 14.22 | kJ/mol | 266.25 | NIST |
| ΔfusH | 13.21 | kJ/mol | 266.30 | NIST |
| ΔfusH | 13.21 | kJ/mol | 266.30 | NIST |
| ΔvapH | 48.30 | kJ/mol | 458.50 | NIST |
| ΔfusS | 53.40 | J/mol×K | 266.25 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 339.20 | K | 0.70 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [363.28; 523.09] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.43239e+01 | |||
| Coefficient B | -4.02376e+03 | |||
| Coefficient C | -7.66160e+01 | |||
| Temperature range, min. | 363.28 | |||
| Temperature range, max. | 523.09 | |||
|
T(K) Vapor pressure (kPa) 0 50 100 150 200 400 450 500 | ||||
| Pvap | 1.33 | kPa | 363.28 | Calculated Property |
| Pvap | 3.02 | kPa | 381.04 | Calculated Property |
| Pvap | 6.26 | kPa | 398.79 | Calculated Property |
| Pvap | 12.02 | kPa | 416.55 | Calculated Property |
| Pvap | 21.64 | kPa | 434.31 | Calculated Property |
| Pvap | 36.84 | kPa | 452.06 | Calculated Property |
| Pvap | 59.78 | kPa | 469.82 | Calculated Property |
| Pvap | 93.02 | kPa | 487.58 | Calculated Property |
| Pvap | 139.53 | kPa | 505.33 | Calculated Property |
| Pvap | 202.67 | kPa | 523.09 | Calculated Property |
| Pvap | [2.39e-03; 4788.21] | kPa | [266.25; 761.00] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 9.02731e+01 | |||
| Coefficient B | -9.55542e+03 | |||
| Coefficient C | -1.08844e+01 | |||
| Coefficient D | 5.13030e-06 | |||
| Temperature range, min. | 266.25 | |||
| Temperature range, max. | 761.00 | |||
|
T(K) Vapor pressure (kPa) 0 1000 2000 3000 4000 5000 400 600 | ||||
| Pvap | 2.39e-03 | kPa | 266.25 | Calculated Property |
| Pvap | 0.17 | kPa | 321.22 | Calculated Property |
| Pvap | 2.87 | kPa | 376.19 | Calculated Property |
| Pvap | 20.80 | kPa | 431.17 | Calculated Property |
| Pvap | 89.45 | kPa | 486.14 | Calculated Property |
| Pvap | 274.29 | kPa | 541.11 | Calculated Property |
| Pvap | 672.04 | kPa | 596.08 | Calculated Property |
| Pvap | 1415.75 | kPa | 651.06 | Calculated Property |
| Pvap | 2693.55 | kPa | 706.03 | Calculated Property |
| Pvap | 4788.21 | kPa | 761.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1,3-dibromo-.
Sources
- KDB Vapor Pressure Data
- Crippen Method
- Heat Capacities and Densities of Some Liquid Chloro-, Bromo-, and Bromochloro-Substituted Benzenes
- Joback Method
- KDB
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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