- InChI
- InChI=1S/C12H9BrO/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9H
- InChI Key
- JDUYPUMQALQRCN-UHFFFAOYSA-N
- Formula
- C12H9BrO
- SMILES
- Brc1ccc(Oc2ccccc2)cc1
- Molecular Weight1
- 249.10
- CAS
- 101-55-3
- Other Names
-
- Ether, p-bromophenyl phenyl
- p-(Phenoxy)bromobenzene
- p-Bromodiphenyl ether
- p-Bromophenoxybenzene
- p-Bromophenyl phenyl ether
- Diphenyl ether, 4-bromo-
- Ether, 4-bromophenyl phenyl
- Phenyl ether, 4-bromo-
- 1-Bromo-4-phenoxybenzene
- 4-Bromodiphenyl ether
- 4-Bromophenoxybenzene
- 4-Bromophenyl phenyl ether
- p-Bromphenyl phenyl ether
- p-Phenoxyphenyl bromide
- 4-Phenoxy-1-bromobenzene
- NSC 5619
- 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).
- 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).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- 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 |
|---|---|---|---|
| ΔfG° | 174.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 64.69 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.36 | kJ/mol | Joback Calculated Property |
| log10WS | -4.27 | Crippen Calculated Property | |
| logPoct/wat | 4.241 | Crippen Calculated Property | |
| McVol | 155.790 | ml/mol | McGowan Calculated Property |
| Pc | 3581.35 | kPa | Joback Calculated Property |
| Inp | [285.80; 1685.00] |
|
|
| Inp | 1639.00 | NIST | |
| Inp | 1661.70 | NIST | |
| Inp | 1641.00 | NIST | |
| Inp | 1685.00 | NIST | |
| Inp | 1652.00 | NIST | |
| Inp | 285.80 | NIST | |
| Inp | 285.80 | NIST | |
| I | [2394.00; 2394.00] |
|
|
| I | 2394.00 | NIST | |
| I | 2394.00 | NIST | |
| Tboil | 578.20 | K | NIST |
| Tc | 881.79 | K | Joback Calculated Property |
| Tfus | 291.90 ± 0.02 | K | NIST |
| Vc | 0.572 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [339.25; 406.34] | J/mol×K | [620.88; 881.79] |
|
| Cp,gas | 339.25 | J/mol×K | 620.88 | Joback Calculated Property |
| Cp,gas | 353.16 | J/mol×K | 664.37 | Joback Calculated Property |
| Cp,gas | 365.88 | J/mol×K | 707.85 | Joback Calculated Property |
| Cp,gas | 377.50 | J/mol×K | 751.34 | Joback Calculated Property |
| Cp,gas | 388.07 | J/mol×K | 794.82 | Joback Calculated Property |
| Cp,gas | 397.66 | J/mol×K | 838.31 | Joback Calculated Property |
| Cp,gas | 406.34 | J/mol×K | 881.79 | Joback Calculated Property |
| η | [0.0001683; 0.0012460] | Pa×s | [372.39; 620.88] |
|
| η | 0.0012460 | Pa×s | 372.39 | Joback Calculated Property |
| η | 0.0007553 | Pa×s | 413.81 | Joback Calculated Property |
| η | 0.0005014 | Pa×s | 455.22 | Joback Calculated Property |
| η | 0.0003565 | Pa×s | 496.63 | Joback Calculated Property |
| η | 0.0002671 | Pa×s | 538.05 | Joback Calculated Property |
| η | 0.0002085 | Pa×s | 579.46 | Joback Calculated Property |
| η | 0.0001683 | Pa×s | 620.88 | Joback Calculated Property |
| ΔvapH | 64.60 | kJ/mol | 568.00 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 399.00 ± 2.00 | K | 0.45 | NIST |
Similar Compounds
Find more compounds similar to Benzene, 1-bromo-4-phenoxy-.
Sources
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