- 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
- 233.11
- 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° | 75.74 | 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 | 818.47 | K | Relay (1.0) Calculated Property |
| Tfus | 288.16 | K | Relay (1.0) Calculated Property |
| Vc | 0.546 | m3/kmol | Relay (1.0) 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 |
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 | [0.0016627; 0.0002047] | Pa×s | [350.16; 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 | |||
| Temperature range, min. | 350.16 | |||
| Temperature range, max. | 605.10 | |||
| η | 0.0016627 | Pa×s | 350.16 | Calculated Property |
| η | 0.0011462 | Pa×s | 378.49 | Calculated Property |
| η | 0.0008321 | Pa×s | 406.81 | Calculated Property |
| η | 0.0006298 | Pa×s | 435.14 | Calculated Property |
| η | 0.0004932 | Pa×s | 463.47 | Calculated Property |
| η | 0.0003972 | Pa×s | 491.79 | Calculated Property |
| η | 0.0003276 | Pa×s | 520.12 | Calculated Property |
| η | 0.0002756 | Pa×s | 548.45 | Calculated Property |
| η | 0.0002358 | Pa×s | 576.77 | Calculated Property |
| η | 0.0002047 | Pa×s | 605.10 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,1'-Biphenyl, 3-bromo-.
Sources
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