- InChI
- InChI=1S/C12H9Br/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H
- InChI Key
- USYQKCQEVBFJRP-UHFFFAOYSA-N
- Formula
- C12H9Br
- SMILES
- Brc1cccc(-c2ccccc2)c1
- Molecular Weight1
- 233.10
- CAS
- 2113-57-7
- Other Names
-
- Biphenyl, 3-bromo-
- m-Bromobiphenyl
- 3-Bromobiphenyl
- 3-Bromo diphenyl
- 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).
- ΔvapH° : Enthalpy of vaporization at standard conditions (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).
- 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 | 0.3796 | Relay (1.0) Calculated Property | |
| ΔfG° | 279.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 232.30 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.77 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.40 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.51 | 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 | [573.00; 573.20] | K |
|
| Tboil | 573.20 | K | NIST |
| Tboil | 573.00 ± 1.00 | K | NIST |
| Tc | 818.32 | K | Relay (1.0) Calculated Property |
| Tfus | 291.38 | K | Relay (1.0) Calculated Property |
| Vc | 0.547 | m3/kmol | Relay (1.0) 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 |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [376.70; 384.00] | K | [0.03; 0.10] |
|
| Tboilr | 376.70 | K | 0.03 | NIST |
| Tboilr | 384.00 | K | 0.10 | NIST |
Similar Compounds
Find more compounds similar to 1,1'-Biphenyl, 3-bromo-.
Sources
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