- 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
- 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).
- 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).
- 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 |
|---|---|---|---|
| ω | 0.4800 | Relay (1.0) Calculated Property | |
| ΔfG° | 174.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 77.40 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.78 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.00 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.16 | Relay (1.0) 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 | 836.52 | K | Relay (1.0) Calculated Property |
| Tfus | 291.90 ± 0.02 | K | NIST |
| Vc | 0.555 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| 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 |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [177.48; 425.90] | 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 | -2.78400e+01 | |||
| Coefficient B | 9.01500e-01 | |||
| Coefficient C | -5.84760e-04 | |||
| Coefficient D | 1.37000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 177.48 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 223.97 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 264.73 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 300.19 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 330.78 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 356.94 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 379.10 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 397.69 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 413.14 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 425.90 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0049496; 0.0001711] | Pa×s | [291.90; 617.45] |
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 | -1.16901e+01 | |||
| Coefficient B | 1.86281e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 291.90 | |||
| Temperature range, max. | 617.45 | |||
| η | 0.0049496 | Pa×s | 291.90 | Calculated Property |
| η | 0.0024490 | Pa×s | 328.07 | Calculated Property |
| η | 0.0013935 | Pa×s | 364.25 | Calculated Property |
| η | 0.0008779 | Pa×s | 400.42 | Calculated Property |
| η | 0.0005971 | Pa×s | 436.59 | Calculated Property |
| η | 0.0004308 | Pa×s | 472.76 | Calculated Property |
| η | 0.0003256 | Pa×s | 508.94 | Calculated Property |
| η | 0.0002554 | Pa×s | 545.11 | Calculated Property |
| η | 0.0002065 | Pa×s | 581.28 | Calculated Property |
| η | 0.0001711 | Pa×s | 617.45 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-bromo-4-phenoxy-.
Sources
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