- 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-Bromo-1,1'-biphenyl
- 4-Bromobiphenyl
- 4-Bromodiphenyl
- Biphenyl, 4-bromo-
- p-Bromobiphenyl
- p-Bromodiphenyl
- p-Phenylbromobenzene
- 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 |
|---|---|---|---|
| ΔcH°solid | -6123.49 | kJ/mol | NIST |
| ΔfG° | 279.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 196.91 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.95 | kJ/mol | Joback Calculated Property |
| IE | 8.05 ± 0.02 | eV | NIST |
| log10WS | -5.24 | Crippen 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 | 864.14 | K | Joback 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 | 0.553 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [315.92; 384.51] | J/mol×K | [598.46; 864.14] |
|
| Cp,gas | 315.92 | J/mol×K | 598.46 | Joback Calculated Property |
| Cp,gas | 330.21 | J/mol×K | 642.74 | Joback Calculated Property |
| Cp,gas | 343.23 | J/mol×K | 687.02 | Joback Calculated Property |
| Cp,gas | 355.07 | J/mol×K | 731.30 | Joback Calculated Property |
| Cp,gas | 365.83 | J/mol×K | 775.58 | Joback Calculated Property |
| Cp,gas | 375.61 | J/mol×K | 819.86 | Joback Calculated Property |
| Cp,gas | 384.51 | J/mol×K | 864.14 | Joback Calculated Property |
| η | [0.0002114; 0.0016627] | Pa×s | [350.16; 598.46] |
|
| η | 0.0016627 | Pa×s | 350.16 | Joback Calculated Property |
| η | 0.0009832 | Pa×s | 391.54 | Joback Calculated Property |
| η | 0.0006428 | Pa×s | 432.93 | Joback Calculated Property |
| η | 0.0004526 | Pa×s | 474.31 | Joback Calculated Property |
| η | 0.0003371 | Pa×s | 515.69 | Joback Calculated Property |
| η | 0.0002624 | Pa×s | 557.08 | Joback Calculated Property |
| η | 0.0002114 | Pa×s | 598.46 | Joback Calculated Property |
| ΔvapH | 62.20 | kJ/mol | 477.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [424.27; 620.94] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| 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 |
Similar Compounds
Find more compounds similar to 1,1'-Biphenyl, 4-bromo-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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