- InChI
- InChI=1S/C7H7BrO/c1-5-2-3-7(9)6(8)4-5/h2-4,9H,1H3
- InChI Key
- MTIDYGLTAOZOGU-UHFFFAOYSA-N
- Formula
- C7H7BrO
- SMILES
- Cc1ccc(O)c(Br)c1
- Molecular Weight1
- 187.03
- CAS
- 6627-55-0
- Other Names
-
- 2-Bromo-p-cresol
- 3-Bromo-4-hydroxytoluene
- 2-Bromo-4-methylphenol
- p-Cresol, 2-bromo-
- 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).
- 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° | -29.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -113.73 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.56 | kJ/mol | Joback Calculated Property |
| log10WS | -2.66 | Crippen Calculated Property | |
| logPoct/wat | 2.463 | Crippen Calculated Property | |
| McVol | 109.100 | ml/mol | McGowan Calculated Property |
| Pc | 5438.52 | kPa | Joback Calculated Property |
| Inp | [1153.50; 1153.50] |
|
|
| Inp | 1153.50 | NIST | |
| Inp | 1153.50 | NIST | |
| Tboil | 486.70 | K | NIST |
| Tc | 785.86 | K | Joback Calculated Property |
| Tfus | 328.00 ± 0.50 | K | NIST |
| Vc | 0.347 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [214.81; 260.21] | J/mol×K | [538.00; 785.86] |
|
| Cp,gas | 214.81 | J/mol×K | 538.00 | Joback Calculated Property |
| Cp,gas | 224.02 | J/mol×K | 579.31 | Joback Calculated Property |
| Cp,gas | 232.44 | J/mol×K | 620.62 | Joback Calculated Property |
| Cp,gas | 240.16 | J/mol×K | 661.93 | Joback Calculated Property |
| Cp,gas | 247.30 | J/mol×K | 703.24 | Joback Calculated Property |
| Cp,gas | 253.95 | J/mol×K | 744.55 | Joback Calculated Property |
| Cp,gas | 260.21 | J/mol×K | 785.86 | Joback Calculated Property |
| η | [0.0000793; 0.0014707] | Pa×s | [379.11; 538.00] |
|
| η | 0.0014707 | Pa×s | 379.11 | Joback Calculated Property |
| η | 0.0007711 | Pa×s | 405.59 | Joback Calculated Property |
| η | 0.0004376 | Pa×s | 432.07 | Joback Calculated Property |
| η | 0.0002651 | Pa×s | 458.56 | Joback Calculated Property |
| η | 0.0001696 | Pa×s | 485.04 | Joback Calculated Property |
| η | 0.0001137 | Pa×s | 511.52 | Joback Calculated Property |
| η | 0.0000793 | Pa×s | 538.00 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phenol, 2-bromo-4-methyl-.
Sources
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