- InChI
- InChI=1S/C6H5BrO/c7-5-1-3-6(8)4-2-5/h1-4,8H
- InChI Key
- GZFGOTFRPZRKDS-UHFFFAOYSA-N
- Formula
- C6H5BrO
- SMILES
- Oc1ccc(Br)cc1
- Molecular Weight1
- 173.01
- CAS
- 106-41-2
- Other Names
-
- 4-Bromophenol
- Phenol, p-bromo-
- p-Bromophenol
- p-bromohydroxybenzene
- p-bromophenic acid
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase heat capacity (J/mol×K).
- Cp,solid : Solid phase 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).
- 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.
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- 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.
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry.
Do not hesitate to contact us for your projects.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | -28.25 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -81.62 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.41 | kJ/mol | Joback Calculated Property |
| ΔsubH° | [83.10; 87.30] | kJ/mol |
|
| ΔsubH° | 83.10 ± 1.60 | kJ/mol | NIST |
| ΔsubH° | 87.30 ± 0.40 | kJ/mol | NIST |
| ΔvapH° | 50.67 | kJ/mol | Joback Calculated Property |
| IE | 8.52 | eV | NIST |
| log10WS | [-1.09; -1.09] |
|
|
| log10WS | -1.09 | Aq. Sol... | |
| log10WS | -1.09 | Estimat... | |
| logPoct/wat | 2.155 | Crippen Calculated Property | |
| McVol | 95.010 | ml/mol | McGowan Calculated Property |
| Pc | 6451.51 | kPa | Joback Calculated Property |
| Inp | [1252.00; 1312.00] |
|
|
| Inp | Outlier 1312.00 | NIST | |
| Inp | 1274.00 | NIST | |
| Inp | 1256.00 | NIST | |
| Inp | 1256.00 | NIST | |
| Inp | 1297.20 | NIST | |
| Inp | 1286.00 | NIST | |
| Inp | 1252.00 | NIST | |
| Inp | 1274.00 | NIST | |
| Inp | 1256.00 | NIST | |
| Inp | 1274.00 | NIST | |
| Inp | 1252.00 | NIST | |
| Inp | 1256.00 | NIST | |
| Tboil | [508.70; 511.20] | K |
|
| Tboil | 508.70 | K | NIST |
| Tboil | 511.20 | K | NIST |
| Tc | 761.97 | K | Joback Calculated Property |
| Tfus | [336.00; 337.87] | K |
|
| Tfus | 337.87 | K | Aq. Sol... |
| Tfus | 337.80 | K | Crystal... |
| Tfus | 336.00 ± 1.00 | K | NIST |
| Tfus | 337.00 ± 2.00 | K | NIST |
| Vc | 0.291 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [175.03; 214.59] | J/mol×K | [510.14; 761.97] |
|
| Cp,gas | 175.03 | J/mol×K | 510.14 | Joback Calculated Property |
| Cp,gas | 183.39 | J/mol×K | 552.11 | Joback Calculated Property |
| Cp,gas | 190.89 | J/mol×K | 594.08 | Joback Calculated Property |
| Cp,gas | 197.65 | J/mol×K | 636.05 | Joback Calculated Property |
| Cp,gas | 203.78 | J/mol×K | 678.02 | Joback Calculated Property |
| Cp,gas | 209.39 | J/mol×K | 720.00 | Joback Calculated Property |
| Cp,gas | 214.59 | J/mol×K | 761.97 | Joback Calculated Property |
| Cp,liquid | 230.00 | J/mol×K | 337.00 | NIST |
| Cp,solid | 192.00 | J/mol×K | 300.00 | NIST |
| η | [0.0001095; 0.0025966] | Pa×s | [355.32; 510.14] |
|
| η | 0.0025966 | Pa×s | 355.32 | Joback Calculated Property |
| η | 0.0012814 | Pa×s | 381.12 | Joback Calculated Property |
| η | 0.0006917 | Pa×s | 406.93 | Joback Calculated Property |
| η | 0.0004018 | Pa×s | 432.73 | Joback Calculated Property |
| η | 0.0002481 | Pa×s | 458.53 | Joback Calculated Property |
| η | 0.0001613 | Pa×s | 484.34 | Joback Calculated Property |
| η | 0.0001095 | Pa×s | 510.14 | Joback Calculated Property |
| ΔfusH | [13.00; 17.60] | kJ/mol | [336.00; 3367.00] |
|
| ΔfusH | 16.57 | kJ/mol | 336.00 | NIST |
| ΔfusH | 16.57 | kJ/mol | 336.00 | NIST |
| ΔfusH | 16.57 | kJ/mol | 336.00 | NIST |
| ΔfusH | 17.60 | kJ/mol | 338.20 | NIST |
| ΔfusH | 13.00 | kJ/mol | 3367.00 | NIST |
| ΔvapH | 58.80 | kJ/mol | 450.50 | NIST |
| ΔfusS | [39.00; 49.30] | J/mol×K | [336.00; 3367.00] |
|
| ΔfusS | 49.30 | J/mol×K | 336.00 | NIST |
| ΔfusS | 39.00 | J/mol×K | 3367.00 | NIST |
Similar Compounds
Find more compounds similar to Phenol, 4-bromo-.
Sources
- Crippen Method
- Crystalline and liquid vapour pressures of the four p-monohalophenols: A thermodynamic study of their phase transitions
- Joback Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
Take the time to validate and double check the source of the data.
Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.