- InChI
- InChI=1S/C8H9BrO/c1-5-3-7(9)4-6(2)8(5)10/h3-4,10H,1-2H3
- InChI Key
- ZLVFYUORUHNMBO-UHFFFAOYSA-N
- Formula
- C8H9BrO
- SMILES
- Cc1cc(Br)cc(C)c1O
- Molecular Weight1
- 201.06
- CAS
- 2374-05-2
- Other Names
-
- 4-Bromo-2,6-dimethylphenol
- 2,6-Xylenol, 4-bromo-
- 4-Bromo-2,6-xylenol
- 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).
- 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).
- 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 |
|---|---|---|---|
| ω | 0.5314 | Relay (... Calculated Property | |
| ΔfG° | -30.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -114.88 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 20.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.89 | kJ/mol | Relay (... Calculated Property |
| IE | 8.18 | eV | Relay (... Calculated Property |
| log10WS | -2.61 | Relay (... Calculated Property | |
| logPoct/wat | 2.772 | Crippen Calculated Property | |
| McVol | 123.190 | ml/mol | McGowan Calculated Property |
| Pc | 4646.65 | kPa | Joback Calculated Property |
| Tboil | 513.52 | K | Relay (... Calculated Property |
| Tc | 760.39 | K | Relay (... Calculated Property |
| Tfus | 363.67 | K | Relay (... Calculated Property |
| Vc | 0.423 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [256.30; 307.22] | J/mol×K | [565.86; 809.66] | 
|
| Cp,gas | 256.30 | J/mol×K | 565.86 | Joback Calculated Property |
| Cp,gas | 266.32 | J/mol×K | 606.49 | Joback Calculated Property |
| Cp,gas | 275.61 | J/mol×K | 647.13 | Joback Calculated Property |
| Cp,gas | 284.26 | J/mol×K | 687.76 | Joback Calculated Property |
| Cp,gas | 292.35 | J/mol×K | 728.40 | Joback Calculated Property |
| Cp,gas | 299.97 | J/mol×K | 769.03 | Joback Calculated Property |
| Cp,gas | 307.22 | J/mol×K | 809.66 | Joback Calculated Property |
| η | [0.0000587; 0.0008830] | Pa×s | [402.90; 565.86] |
|
| η | 0.0008830 | Pa×s | 402.90 | Joback Calculated Property |
| η | 0.0004873 | Pa×s | 430.06 | Joback Calculated Property |
| η | 0.0002886 | Pa×s | 457.22 | Joback Calculated Property |
| η | 0.0001813 | Pa×s | 484.38 | Joback Calculated Property |
| η | 0.0001196 | Pa×s | 511.54 | Joback Calculated Property |
| η | 0.0000823 | Pa×s | 538.70 | Joback Calculated Property |
| η | 0.0000587 | Pa×s | 565.86 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phenol, 4-bromo-2,6-dimethyl-.
Sources
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