- InChI
- InChI=1S/C12H8Br2O/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H
- InChI Key
- YAWIAFUBXXPJMQ-UHFFFAOYSA-N
- Formula
- C12H8Br2O
- SMILES
- Brc1ccc(Oc2ccc(Br)cc2)cc1
- Molecular Weight1
- 328.00
- CAS
- 2050-47-7
- Other Names
-
- di(4-Bromophenyl)ether
- 4,4'-Dibromodiphenyl ether
- Bis(p-bromophenyl)ether
- Bis-(4-bromophenyl) ether
- Benzene, 1,1'-oxybis[4-bromo-
- p,p'-Dibromodiphenyl ether
- Bis(bromophenyl) ether
- Ether, bis(p-bromophenyl)
- Ether, bis(4-bromophenyl)
- USAF DO-61
- Diphenyl ether, 4,4'-dibromo
- NSC 1787
- NSC 9487
- 4,4'-BDE
- 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.
- 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 |
|---|---|---|---|
| ΔfG° | 179.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 79.55 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.46 | kJ/mol | Joback Calculated Property |
| log10WS | -5.43 | Crippen Calculated Property | |
| logPoct/wat | 5.004 | Crippen Calculated Property | |
| McVol | 173.290 | ml/mol | McGowan Calculated Property |
| Pc | 3824.55 | kPa | Joback Calculated Property |
| Inp | [1936.00; 1936.00] |
|
|
| Inp | 1936.00 | NIST | |
| Inp | 1936.00 | NIST | |
| Tboil | 612.20 | K | NIST |
| Tc | 965.48 | K | Joback Calculated Property |
| Tfus | [327.15; 327.15] | K |
|
| Tfus | 327.15 ± 1.50 | K | NIST |
| Tfus | 327.15 ± 1.50 | K | NIST |
| Vc | 0.633 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [370.09; 426.89] | J/mol×K | [692.02; 965.48] |
|
| Cp,gas | 370.09 | J/mol×K | 692.02 | Joback Calculated Property |
| Cp,gas | 382.04 | J/mol×K | 737.60 | Joback Calculated Property |
| Cp,gas | 392.89 | J/mol×K | 783.17 | Joback Calculated Property |
| Cp,gas | 402.71 | J/mol×K | 828.75 | Joback Calculated Property |
| Cp,gas | 411.60 | J/mol×K | 874.33 | Joback Calculated Property |
| Cp,gas | 419.63 | J/mol×K | 919.91 | Joback Calculated Property |
| Cp,gas | 426.89 | J/mol×K | 965.48 | Joback Calculated Property |
| η | [0.0001493; 0.0008047] | Pa×s | [444.71; 692.02] |
|
| η | 0.0008047 | Pa×s | 444.71 | Joback Calculated Property |
| η | 0.0005395 | Pa×s | 485.93 | Joback Calculated Property |
| η | 0.0003850 | Pa×s | 527.15 | Joback Calculated Property |
| η | 0.0002886 | Pa×s | 568.37 | Joback Calculated Property |
| η | 0.0002249 | Pa×s | 609.58 | Joback Calculated Property |
| η | 0.0001809 | Pa×s | 650.80 | Joback Calculated Property |
| η | 0.0001493 | Pa×s | 692.02 | Joback Calculated Property |
| ΔvapH | 78.00 | kJ/mol | 418.00 | NIST |
Similar Compounds
Find more compounds similar to 4-Bromophenyl ether.
Sources
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