- InChI
- InChI=1S/C6H4Br2/c7-5-3-1-2-4-6(5)8/h1-4H
- InChI Key
- WQONPSCCEXUXTQ-UHFFFAOYSA-N
- Formula
- C6H4Br2
- SMILES
- Brc1ccccc1Br
- Molecular Weight1
- 235.90
- CAS
- 583-53-9
- Other Names
-
- 1,2-DIBROMOBENZENE
- Benzene, o-dibromo-
- O-dichlorobenzene
- o-Dibromobenzene
- ortho-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).
- 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).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry.
Do not hesitate to contact us for your projects.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | 131.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 110.55 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.76 | kJ/mol | Joback Calculated Property |
| IE | [8.90; 9.05] | eV |
|
| IE | 8.98 ± 0.02 | eV | NIST |
| IE | 8.91 ± 0.02 | eV | NIST |
| IE | 8.90 | eV | NIST |
| IE | 9.05 | eV | NIST |
| IE | 8.99 ± 0.03 | eV | NIST |
| IE | 9.02 | eV | NIST |
| log10WS | [-3.50; -3.50] |
|
|
| log10WS | -3.50 | Aq. Sol... | |
| log10WS | -3.50 | Estimat... | |
| logPoct/wat | 3.212 | Crippen Calculated Property | |
| McVol | 106.640 | ml/mol | McGowan Calculated Property |
| Pc | 5569.17 | kPa | Joback Calculated Property |
| Inp | [1185.30; 1221.00] |
|
|
| Inp | 1221.00 | NIST | |
| Inp | 1185.30 | NIST | |
| Inp | 1216.00 | NIST | |
| Inp | 1221.00 | NIST | |
| Inp | 1221.00 | NIST | |
| Inp | 1185.30 | NIST | |
| I | [1830.00; 1830.00] |
|
|
| I | 1830.00 | NIST | |
| I | 1830.00 | NIST | |
| I | 1830.00 | NIST | |
| Tboil | 498.20 | K | NIST |
| Tc | 757.23 | K | Joback Calculated Property |
| Tfus | [274.95; 280.00] | K |
|
| Tfus | 279.52 | K | Aq. Sol... |
| Tfus | 280.00 ± 0.02 | K | NIST |
| Tfus | 278.42 ± 0.05 | K | NIST |
| Tfus | 275.00 ± 1.50 | K | NIST |
| Tfus | 274.95 ± 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 | [177.44; 196.80] | J/mol×K | [283.15; 353.15] |
|
|
T(K) Liquid phase heat capacity (J/mol×K) 180 185 190 195 300 320 340 | ||||
| Cp,liquid | 177.44 | J/mol×K | 283.15 | Heat Ca... |
| Cp,liquid | 177.83 | J/mol×K | 285.15 | Heat Ca... |
| Cp,liquid | 178.12 | J/mol×K | 287.15 | Heat Ca... |
| Cp,liquid | 178.43 | J/mol×K | 289.15 | Heat Ca... |
| Cp,liquid | 178.75 | J/mol×K | 291.15 | Heat Ca... |
| Cp,liquid | 179.08 | J/mol×K | 293.15 | Heat Ca... |
| Cp,liquid | 179.42 | J/mol×K | 295.15 | Heat Ca... |
| Cp,liquid | 179.76 | J/mol×K | 297.15 | Heat Ca... |
| Cp,liquid | 196.80 | J/mol×K | 298.15 | NIST |
| Cp,liquid | 180.12 | J/mol×K | 299.15 | Heat Ca... |
| Cp,liquid | 180.48 | J/mol×K | 301.15 | Heat Ca... |
| Cp,liquid | 180.85 | J/mol×K | 303.15 | Heat Ca... |
| Cp,liquid | 181.22 | J/mol×K | 305.15 | Heat Ca... |
| Cp,liquid | 181.60 | J/mol×K | 307.15 | Heat Ca... |
| Cp,liquid | 181.99 | J/mol×K | 309.15 | Heat Ca... |
| Cp,liquid | 182.38 | J/mol×K | 311.15 | Heat Ca... |
| Cp,liquid | 182.77 | J/mol×K | 313.15 | Heat Ca... |
| Cp,liquid | 183.17 | J/mol×K | 315.15 | Heat Ca... |
| Cp,liquid | 183.57 | J/mol×K | 317.15 | Heat Ca... |
| Cp,liquid | 183.97 | J/mol×K | 319.15 | Heat Ca... |
| Cp,liquid | 184.38 | J/mol×K | 321.15 | Heat Ca... |
| Cp,liquid | 184.79 | J/mol×K | 323.15 | Heat Ca... |
| Cp,liquid | 185.19 | J/mol×K | 325.15 | Heat Ca... |
| Cp,liquid | 185.60 | J/mol×K | 327.15 | Heat Ca... |
| Cp,liquid | 186.01 | J/mol×K | 329.15 | Heat Ca... |
| Cp,liquid | 186.42 | J/mol×K | 331.15 | Heat Ca... |
| Cp,liquid | 186.82 | J/mol×K | 333.15 | Heat Ca... |
| Cp,liquid | 187.23 | J/mol×K | 335.15 | Heat Ca... |
| Cp,liquid | 187.63 | J/mol×K | 337.15 | Heat Ca... |
| Cp,liquid | 188.03 | J/mol×K | 339.15 | Heat Ca... |
| Cp,liquid | 188.42 | J/mol×K | 341.15 | Heat Ca... |
| Cp,liquid | 188.82 | J/mol×K | 343.15 | Heat Ca... |
| Cp,liquid | 189.20 | J/mol×K | 345.15 | Heat Ca... |
| Cp,liquid | 189.58 | J/mol×K | 347.15 | Heat Ca... |
| Cp,liquid | 189.96 | J/mol×K | 349.15 | Heat Ca... |
| Cp,liquid | 190.33 | J/mol×K | 351.15 | Heat Ca... |
| Cp,liquid | 190.69 | 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 | [12.61; 13.59] | kJ/mol | [274.95; 275.00] |
|
| ΔfusH | 13.59 | kJ/mol | 274.95 | NIST |
| ΔfusH | 12.61 | kJ/mol | 275.00 | NIST |
| ΔfusH | 12.61 | kJ/mol | 275.00 | NIST |
| ΔvapH | 50.10 | kJ/mol | 478.00 | NIST |
| ΔfusS | 49.40 | J/mol×K | 274.95 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [365.02; 534.47] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.37724e+01 | |||
| Coefficient B | -3.84834e+03 | |||
| Coefficient C | -7.96360e+01 | |||
| Temperature range, min. | 365.02 | |||
| Temperature range, max. | 534.47 | |||
|
T(K) Vapor pressure (kPa) 0 50 100 150 200 400 450 500 | ||||
| Pvap | 1.33 | kPa | 365.02 | Calculated Property |
| Pvap | 3.07 | kPa | 383.85 | Calculated Property |
| Pvap | 6.42 | kPa | 402.68 | Calculated Property |
| Pvap | 12.37 | kPa | 421.50 | Calculated Property |
| Pvap | 22.27 | kPa | 440.33 | Calculated Property |
| Pvap | 37.80 | kPa | 459.16 | Calculated Property |
| Pvap | 61.05 | kPa | 477.99 | Calculated Property |
| Pvap | 94.41 | kPa | 496.81 | Calculated Property |
| Pvap | 140.61 | kPa | 515.64 | Calculated Property |
| Pvap | 202.63 | kPa | 534.47 | Calculated Property |
| Pvap | [3.61; 389.70] | kPa | [388.15; 568.15] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 7.83542e+01 | |||
| Coefficient B | -9.17476e+03 | |||
| Coefficient C | -9.05766e+00 | |||
| Coefficient D | 3.73877e-06 | |||
| Temperature range, min. | 388.15 | |||
| Temperature range, max. | 568.15 | |||
|
T(K) Vapor pressure (kPa) 0 50 100 150 200 250 300 350 400 400 450 500 550 | ||||
| Pvap | 3.61 | kPa | 388.15 | Calculated Property |
| Pvap | 7.74 | kPa | 408.15 | Calculated Property |
| Pvap | 15.27 | kPa | 428.15 | Calculated Property |
| Pvap | 28.06 | kPa | 448.15 | Calculated Property |
| Pvap | 48.52 | kPa | 468.15 | Calculated Property |
| Pvap | 79.65 | kPa | 488.15 | Calculated Property |
| Pvap | 124.98 | kPa | 508.15 | Calculated Property |
| Pvap | 188.61 | kPa | 528.15 | Calculated Property |
| Pvap | 275.15 | kPa | 548.15 | Calculated Property |
| Pvap | 389.70 | kPa | 568.15 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1,2-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
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.