- InChI
- InChI=1S/C12H9Br/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H
- InChI Key
- PKJBWOWQJHHAHG-UHFFFAOYSA-N
- Formula
- C12H9Br
- SMILES
- Brc1ccc(-c2ccccc2)cc1
- Molecular Weight1
- 233.10
- CAS
- 92-66-0
- Other Names
-
- 4-Biphenyl bromide
- 4-Brom-biphenyl
- 4-Bromodiphenyl
- 4-bromo-1,1'-biphenyl
- 4-bromobiphenyl
- Biphenyl, 4-bromo-
- p-Bromobiphenyl
- p-Bromodiphenyl
- p-phenylbromobenzene
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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).
- 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).
- 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 | 0.3864 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -6123.49 | kJ/mol | NIST |
| ΔfG° | 279.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 231.10 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.30 | kJ/mol | Enthalpies of Vaporization and Sublimation of the Halogen-Substituted Aromatic Hydrocarbons at 298.15 K: Application of Solution Calorimetry Approach |
| ΔvapH° | 76.72 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.05 ± 0.02 | eV | NIST |
| log10WS | -5.47 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.116 | Crippen Calculated Property | |
| McVol | 149.920 | ml/mol | McGowan Calculated Property |
| Pc | 3655.35 | kPa | Joback Calculated Property |
| Tboil | [583.00; 583.20] | K |
|
| Tboil | 583.20 | K | NIST |
| Tboil | 583.00 | K | NIST |
| Tc | 815.96 | K | Relay (1.0) Calculated Property |
| Tfus | [362.15; 364.80] | K |
|
| Tfus | 364.80 ± 0.20 | K | NIST |
| Tfus | 362.15 ± 1.50 | K | NIST |
| Tfus | 362.20 ± 0.30 | K | NIST |
| Vc | 0.547 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 62.20 | kJ/mol | 477.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [162.07; 407.40] | 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 | -5.33400e+01 | |||
| Coefficient B | 9.64700e-01 | |||
| Coefficient C | -6.95760e-04 | |||
| Coefficient D | 1.91800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 162.07 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 209.36 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 250.23 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 285.28 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 315.12 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 340.36 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 361.60 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 379.45 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 394.51 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 407.40 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0013937; 0.0002047] | Pa×s | [363.05; 605.10] |
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 | -1.13705e+01 | |||
| Coefficient B | 1.74072e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 363.05 | |||
| Temperature range, max. | 605.10 | |||
| η | 0.0013937 | Pa×s | 363.05 | Calculated Property |
| η | 0.0010013 | Pa×s | 389.94 | Calculated Property |
| η | 0.0007507 | Pa×s | 416.84 | Calculated Property |
| η | 0.0005828 | Pa×s | 443.73 | Calculated Property |
| η | 0.0004658 | Pa×s | 470.63 | Calculated Property |
| η | 0.0003814 | Pa×s | 497.52 | Calculated Property |
| η | 0.0003187 | Pa×s | 524.42 | Calculated Property |
| η | 0.0002711 | Pa×s | 551.31 | Calculated Property |
| η | 0.0002341 | Pa×s | 578.21 | Calculated Property |
| η | 0.0002047 | Pa×s | 605.10 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [424.27; 620.94] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.56477e+01 | |||
| Coefficient B | -6.21507e+03 | |||
| Coefficient C | -1.96480e+01 | |||
| Temperature range, min. | 424.27 | |||
| Temperature range, max. | 620.94 | |||
| Pvap | 1.33 | kPa | 424.27 | Calculated Property |
| Pvap | 2.93 | kPa | 446.12 | Calculated Property |
| Pvap | 5.96 | kPa | 467.97 | Calculated Property |
| Pvap | 11.35 | kPa | 489.83 | Calculated Property |
| Pvap | 20.41 | kPa | 511.68 | Calculated Property |
| Pvap | 34.93 | kPa | 533.53 | Calculated Property |
| Pvap | 57.21 | kPa | 555.38 | Calculated Property |
| Pvap | 90.14 | kPa | 577.24 | Calculated Property |
| Pvap | 137.23 | kPa | 599.09 | Calculated Property |
| Pvap | 202.65 | kPa | 620.94 | Calculated Property |
| Pvap | [0.13; 102.27] | kPa | [371.00; 583.00] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.55780e+01 | |||
| Coefficient B | -6.13819e+03 | |||
| Coefficient C | -2.24510e+01 | |||
| Reference | Stull, 1947 | |||
| Comment | Coefficents calculated by NIST from author's data. | |||
| Temperature range, min. | 371.00 | |||
| Temperature range, max. | 583.00 | |||
| Pvap | 0.13 | kPa | 371.00 | Calculated Property |
| Pvap | 0.40 | kPa | 394.56 | Calculated Property |
| Pvap | 1.07 | kPa | 418.11 | Calculated Property |
| Pvap | 2.55 | kPa | 441.67 | Calculated Property |
| Pvap | 5.56 | kPa | 465.22 | Calculated Property |
| Pvap | 11.19 | kPa | 488.78 | Calculated Property |
| Pvap | 21.07 | kPa | 512.33 | Calculated Property |
| Pvap | 37.45 | kPa | 535.89 | Calculated Property |
| Pvap | 63.26 | kPa | 559.44 | Calculated Property |
| Pvap | 102.27 | kPa | 583.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,1'-Biphenyl, 4-bromo-.
Mixtures
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Improving the method of solution calorimetry for evaluation of the enthalpies of phase transitions and condensed state enthalpies of formation
- Enthalpies of Vaporization and Sublimation of the Halogen-Substituted Aromatic Hydrocarbons at 298.15 K: Application of Solution Calorimetry Approach
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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