- InChI
- InChI=1S/C12H8Br2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H
- InChI Key
- HQJQYILBCQPYBI-UHFFFAOYSA-N
- Formula
- C12H8Br2
- SMILES
- Brc1ccc(-c2ccc(Br)cc2)cc1
- Molecular Weight1
- 312.00
- CAS
- 92-86-4
- Other Names
-
- 4,4'-Dibromodiphenyl
- 4,4'-dibromo-1,1'-biphenyl
- 4,4'-dibromobiphenyl
- 4,4-Dibromobiphenyl
- Biphenyl, 4,4'-dibromo-
- p,p'-dibromobiphenyl
- ω : Acentric Factor.
- Cp,gas : Ideal gas 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).
- 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 |
|---|---|---|---|
| ω | 0.4578 | Relay (1.0) Calculated Property | |
| ΔfG° | 284.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 217.02 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.38 | kJ/mol | Thermal, solid liquid equilibrium, crystallization, and microstructural studies of organic monotectic alloy: 4,4 -Dibromobiphenyl succinonitrile |
| ΔvapH° | 87.20 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.28 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.74 | Aq. Solubility Prediction | |
| logPoct/wat | 4.879 | Crippen Calculated Property | |
| McVol | 167.420 | ml/mol | McGowan Calculated Property |
| Pc | 3906.25 | kPa | Joback Calculated Property |
| Tboil | 630.70 | K | NIST |
| Tc | 844.57 | K | Relay (1.0) Calculated Property |
| Tfus | [437.00; 442.00] | K |
|
| Tfus | 442.00 ± 3.00 | K | NIST |
| Tfus | 437.00 ± 3.00 | K | NIST |
| Tfus | 437.00 ± 3.00 | K | NIST |
| Tfus | 438.00 ± 3.00 | K | NIST |
| Tfus | 437.00 ± 3.00 | K | NIST |
| Vc | 0.591 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | 28.38 | kJ/mol | 440.70 | NIST |
| ΔvapH | 106.20 | kJ/mol | 298.15 | Enthalpies of Vaporization and Sublimation of the Halogen-Substituted Aromatic Hydrocarbons at 298.15 K: Application of Solution Calorimetry Approach |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [178.61; 413.43] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -3.08500e+01 | |||
| Coefficient B | 9.43400e-01 | |||
| Coefficient C | -7.00120e-04 | |||
| Coefficient D | 2.01000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 178.61 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 224.18 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 263.39 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 296.89 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 325.31 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 349.28 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 369.45 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 386.43 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 400.88 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 413.43 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0009140; 0.0001973] | Pa×s | [438.20; 664.25] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.15030e+01 | |||
| Coefficient B | 1.97424e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 438.20 | |||
| Temperature range, max. | 664.25 | |||
| η | 0.0009140 | Pa×s | 438.20 | Calculated Property |
| η | 0.0007160 | Pa×s | 463.32 | Calculated Property |
| η | 0.0005751 | Pa×s | 488.43 | Calculated Property |
| η | 0.0004719 | Pa×s | 513.55 | Calculated Property |
| η | 0.0003945 | Pa×s | 538.67 | Calculated Property |
| η | 0.0003351 | Pa×s | 563.78 | Calculated Property |
| η | 0.0002886 | Pa×s | 588.90 | Calculated Property |
| η | 0.0002516 | Pa×s | 614.02 | Calculated Property |
| η | 0.0002217 | Pa×s | 639.13 | Calculated Property |
| η | 0.0001973 | Pa×s | 664.25 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,1'-Biphenyl, 4,4'-dibromo-.
Mixtures
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Thermal, solid liquid equilibrium, crystallization, and microstructural studies of organic monotectic alloy: 4,4 -Dibromobiphenyl succinonitrile
- Enthalpies of Vaporization and Sublimation of the Halogen-Substituted Aromatic Hydrocarbons at 298.15 K: Application of Solution Calorimetry Approach
- Joback Method
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
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