- 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
- ω : Acentric Factor.
- 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 |
|---|---|---|---|
| ω | 0.3302 | Relay (1.0) Calculated Property | |
| ΔfG° | 131.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 130.11 | kJ/mol | Relay (1.0) 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° | 55.17 | kJ/mol | Relay (1.0) 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. Solubility Prediction | |
| log10WS | -3.54 | Estimated Solubility | |
| 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 | 717.44 | K | Relay (1.0) Calculated Property |
| Tfus | [266.00; 266.25] | K |
|
| Tfus | 266.00 ± 1.50 | K | NIST |
| Tfus | 266.25 ± 0.50 | K | NIST |
| Vc | 0.378 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
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 Yaws Handbook of Vapor Pressure
|
| 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 | |||
| 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 Vapor Pressure Data
|
| 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 | |||
| 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
- Cheméo Relay (1.0)
- 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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