- InChI
- InChI=1S/C6H5BrO/c7-5-2-1-3-6(8)4-5/h1-4,8H
- InChI Key
- MNOJRWOWILAHAV-UHFFFAOYSA-N
- Formula
- C6H5BrO
- SMILES
- Oc1cccc(Br)c1
- Molecular Weight1
- 173.01
- CAS
- 591-20-8
- Other Names
-
- Phenol, m-bromo-
- m-Bromophenol
- 3-Bromophenol
- 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° | -28.25 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -81.62 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.67 | kJ/mol | Joback Calculated Property |
| log10WS | -2.18 | Crippen Calculated Property | |
| logPoct/wat | 2.155 | Crippen Calculated Property | |
| McVol | 95.010 | ml/mol | McGowan Calculated Property |
| Pc | 6451.51 | kPa | Joback Calculated Property |
| Inp | [1255.00; 1312.00] |
|
|
| Inp | Outlier 1312.00 | NIST | |
| Inp | 1270.00 | NIST | |
| Inp | 1256.10 | NIST | |
| Inp | 1260.00 | NIST | |
| Inp | 1262.00 | NIST | |
| Inp | 1255.00 | NIST | |
| Inp | 1270.00 | NIST | |
| Inp | 1270.00 | NIST | |
| Inp | 1256.10 | NIST | |
| Inp | 1270.00 | NIST | |
| Inp | 1255.00 | NIST | |
| Inp | Outlier 1312.00 | NIST | |
| Tboil | 509.70 | K | NIST |
| Tc | 761.97 | K | Joback Calculated Property |
| Tfus | 355.32 | K | Joback Calculated Property |
| 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 |
| 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 |
| ΔvapH | 73.50 | kJ/mol | 460.00 | NIST |
Similar Compounds
Find more compounds similar to Phenol, 3-bromo-.
Sources
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Outlier This icon means
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property mean.