- InChI
- InChI=1S/C6H4BrI/c7-5-1-3-6(8)4-2-5/h1-4H
- InChI Key
- UCCUXODGPMAHRL-UHFFFAOYSA-N
- Formula
- C6H4BrI
- SMILES
- Brc1ccc(I)cc1
- Molecular Weight1
- 282.90
- CAS
- 589-87-7
- Other Names
-
- 1-Bromo-4-iodobenzene
- 4-Bromoiodobenzene
- p-Bromoiodobenzene
- p-Bromophenyl iodide
- p-Iodobromobenzene
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔsubH° : Enthalpy of sublimation 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).
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- 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° | 174.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 161.09 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.64 | kJ/mol | Joback Calculated Property |
| ΔsubH° | [78.50; 78.53] | kJ/mol |
|
| ΔsubH° | 78.53 ± 0.16 | kJ/mol | NIST |
| ΔsubH° | 78.50 ± 0.40 | kJ/mol | NIST |
| ΔvapH° | 47.70 | kJ/mol | Joback Calculated Property |
| IE | 8.52 | eV | NIST |
| log10WS | [-4.56; -4.56] |
|
|
| log10WS | -4.56 | Aq. Sol... | |
| log10WS | -4.56 | Estimat... | |
| logPoct/wat | 3.054 | Crippen Calculated Property | |
| McVol | 114.960 | ml/mol | McGowan Calculated Property |
| Pc | 4883.38 | kPa | Joback Calculated Property |
| Tboil | 527.64 | K | Joback Calculated Property |
| Tc | 804.32 | K | Joback Calculated Property |
| Tfus | [363.25; 364.48] | K |
|
| Tfus | 364.48 | K | Aq. Sol... |
| Tfus | 363.25 ± 0.50 | K | NIST |
| Vc | 0.413 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [171.17; 208.72] | J/mol×K | [527.64; 804.32] |
|
| Cp,gas | 171.17 | J/mol×K | 527.64 | Joback Calculated Property |
| Cp,gas | 179.16 | J/mol×K | 573.75 | Joback Calculated Property |
| Cp,gas | 186.35 | J/mol×K | 619.87 | Joback Calculated Property |
| Cp,gas | 192.82 | J/mol×K | 665.98 | Joback Calculated Property |
| Cp,gas | 198.65 | J/mol×K | 712.10 | Joback Calculated Property |
| Cp,gas | 203.93 | J/mol×K | 758.21 | Joback Calculated Property |
| Cp,gas | 208.72 | J/mol×K | 804.32 | Joback Calculated Property |
| η | [0.0003477; 0.0023919] | Pa×s | [314.18; 527.64] |
|
| η | 0.0023919 | Pa×s | 314.18 | Joback Calculated Property |
| η | 0.0014728 | Pa×s | 349.76 | Joback Calculated Property |
| η | 0.0009918 | Pa×s | 385.33 | Joback Calculated Property |
| η | 0.0007141 | Pa×s | 420.91 | Joback Calculated Property |
| η | 0.0005411 | Pa×s | 456.49 | Joback Calculated Property |
| η | 0.0004269 | Pa×s | 492.06 | Joback Calculated Property |
| η | 0.0003477 | Pa×s | 527.64 | Joback Calculated Property |
| ΔfusH | [19.13; 19.61] | kJ/mol | [363.25; 363.50] |
|
| ΔfusH | 19.61 | kJ/mol | 363.25 | NIST |
| ΔfusH | 19.13 | kJ/mol | 363.30 | NIST |
| ΔfusH | 19.38 | kJ/mol | 363.50 | NIST |
| ΔfusS | 54.00 | J/mol×K | 363.25 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [394.20; 525.20] | K | [1.90; 101.00] |
|
| Tboilr | 394.20 | K | 1.90 | NIST |
| Tboilr | 525.20 | K | 101.00 | NIST |
Similar Compounds
Find more compounds similar to Benzene, 1-bromo-4-iodo-.
Sources
- Crippen Method
- Joback Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
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