- InChI
- InChI=1S/C6H4Br2/c7-5-1-2-6(8)4-3-5/h1-4H
- InChI Key
- SWJPEBQEEAHIGZ-UHFFFAOYSA-N
- Formula
- C6H4Br2
- SMILES
- Brc1ccc(Br)cc1
- Molecular Weight1
- 235.90
- CAS
- 106-37-6
- Other Names
-
- 1,4-DIBROMOBENZENE
- Benzene, p-dibromo-
- p-Bromophenyl bromide
- p-Dibromobenzene
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,solid : Solid 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).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation 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.
- 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 |
|---|---|---|---|
| ΔcH°solid | -2942.11 | kJ/mol | NIST |
| ΔfG° | 131.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 110.55 | kJ/mol | Joback Calculated Property |
| ΔfH°(+) ion | 979.00 | kJ/mol | NIST |
| ΔfH(+) ion,0K | 1000.00 | kJ/mol | NIST |
| ΔfusH° | 20.39 | kJ/mol | Low-Tem... |
| ΔsubH° | [59.80; 74.23] | kJ/mol |
|
| ΔsubH° | 74.23 ± 0.11 | kJ/mol | NIST |
| ΔsubH° | 59.80 | kJ/mol | NIST |
| ΔvapH° | 44.76 | kJ/mol | Joback Calculated Property |
| IE | [8.80; 8.97] | eV |
|
| IE | 8.82 ± 0.03 | eV | NIST |
| IE | 8.82 ± 0.02 | eV | NIST |
| IE | 8.85 ± 0.02 | eV | NIST |
| IE | 8.80 | eV | NIST |
| IE | 8.90 ± 0.15 | eV | NIST |
| IE | 8.90 | eV | NIST |
| IE | 8.91 | eV | NIST |
| IE | 8.90 ± 0.03 | eV | NIST |
| IE | 8.91 | eV | NIST |
| IE | 8.97 | eV | NIST |
| log10WS | [-4.07; -4.07] |
|
|
| log10WS | -4.07 | Aq. Sol... | |
| log10WS | -4.07 | Estimat... | |
| log10WS | -4.07 | Rytting... | |
| logPoct/wat | 3.212 | Crippen Calculated Property | |
| McVol | 106.640 | ml/mol | McGowan Calculated Property |
| Pc | 5569.17 | kPa | Joback Calculated Property |
| Inp | [1190.00; 1193.00] |
|
|
| Inp | 1193.00 | NIST | |
| Inp | 1190.00 | NIST | |
| Inp | 1193.00 | NIST | |
| Inp | 1193.00 | NIST | |
| Tboil | [491.70; 493.55] | K |
|
| Tboil | 493.40 | K | KDB |
| Tboil | 491.70 | K | NIST |
| Tboil | 493.55 ± 0.07 | K | NIST |
| Tboil | 493.40 ± 0.60 | K | NIST |
| Tboil | 493.40 ± 0.40 | K | NIST |
| Tc | 757.23 | K | Joback Calculated Property |
| Tfus | [360.45; 360.81] | K |
|
| Tfus | 360.45 | K | KDB |
| Tfus | 360.81 | K | Aq. Sol... |
| 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] |
|
| 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,solid | [145.60; 174.50] | J/mol×K | [198.15; 299.80] |
|
| Cp,solid | 145.60 | J/mol×K | 198.15 | NIST |
| Cp,solid | 174.50 | J/mol×K | 299.80 | NIST |
| η | [0.0003533; 0.0018711] | Pa×s | [315.92; 500.66] |
|
| 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 | [20.04; 20.53] | kJ/mol | [360.00; 360.50] |
|
| ΔfusH | 20.04 | kJ/mol | 360.00 | NIST |
| ΔfusH | 20.53 | kJ/mol | 360.05 | NIST |
| ΔfusH | 20.04 | kJ/mol | 360.10 | NIST |
| ΔfusH | 20.04 | kJ/mol | 360.10 | NIST |
| ΔfusH | 20.39 | kJ/mol | 360.50 | NIST |
| ΔsubH | [73.20; 73.80] | kJ/mol | [287.50; 326.00] |
|
| ΔsubH | 73.80 | kJ/mol | 287.50 | NIST |
| ΔsubH | 73.30 ± 0.40 | kJ/mol | 315.50 | NIST |
| ΔsubH | 73.20 | kJ/mol | 326.00 | NIST |
| ΔsubH | 73.30 ± 0.40 | kJ/mol | 326.00 | NIST |
| ΔvapH | 49.90 | kJ/mol | 433.00 | NIST |
| ΔfusS | [55.70; 57.00] | J/mol×K | [360.00; 360.05] |
|
| ΔfusS | 55.70 | J/mol×K | 360.00 | NIST |
| ΔfusS | 57.00 | J/mol×K | 360.05 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [359.82; 525.19] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.38785e+01 | |||
| Coefficient B | -3.83251e+03 | |||
| Coefficient C | -7.78290e+01 | |||
| Temperature range, min. | 359.82 | |||
| Temperature range, max. | 525.19 | |||
| Pvap | 1.33 | kPa | 359.82 | Calculated Property |
| Pvap | 3.06 | kPa | 378.19 | Calculated Property |
| Pvap | 6.39 | kPa | 396.57 | Calculated Property |
| Pvap | 12.30 | kPa | 414.94 | Calculated Property |
| Pvap | 22.14 | kPa | 433.32 | Calculated Property |
| Pvap | 37.61 | kPa | 451.69 | Calculated Property |
| Pvap | 60.80 | kPa | 470.07 | Calculated Property |
| Pvap | 94.15 | kPa | 488.44 | Calculated Property |
| Pvap | 140.42 | kPa | 506.82 | Calculated Property |
| Pvap | 202.67 | kPa | 525.19 | Calculated Property |
| Pvap | [2.18; 100.39] | kPa | [373.15; 493.15] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 6.17523e+01 | |||
| Coefficient B | -8.20361e+03 | |||
| Coefficient C | -6.65907e+00 | |||
| Coefficient D | 3.22167e-06 | |||
| Temperature range, min. | 373.15 | |||
| Temperature range, max. | 493.15 | |||
| Pvap | 2.18 | kPa | 373.15 | Calculated Property |
| Pvap | 3.81 | kPa | 386.48 | Calculated Property |
| Pvap | 6.39 | kPa | 399.82 | Calculated Property |
| Pvap | 10.31 | kPa | 413.15 | Calculated Property |
| Pvap | 16.09 | kPa | 426.48 | Calculated Property |
| Pvap | 24.38 | kPa | 439.82 | Calculated Property |
| Pvap | 35.95 | kPa | 453.15 | Calculated Property |
| Pvap | 51.72 | kPa | 466.48 | Calculated Property |
| Pvap | 72.78 | kPa | 479.82 | Calculated Property |
| Pvap | 100.39 | kPa | 493.15 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1,4-dibromo-.
Sources
- KDB Vapor Pressure Data
- Crippen Method
- Low-Temperature Heat Capacities and Derived Thermodynamic Functions of 1,4 Dichlorobenzene, 1,4 Dibromobenzene, 1,3,5 Trichlorobenzene, and 1,3,5 Tribromobenzene
- Joback Method
- KDB
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- Aqueous and cosolvent solubility data for drug-like organic compounds
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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.