- InChI
- InChI=1S/C8H9BrO/c1-6-5-7(10-2)3-4-8(6)9/h3-5H,1-2H3
- InChI Key
- BLZNSXFQRKVFRP-UHFFFAOYSA-N
- Formula
- C8H9BrO
- SMILES
- COc1ccc(Br)c(C)c1
- Molecular Weight1
- 201.06
- CAS
- 27060-75-9
- Other Names
-
- 4-Bromo-3-methylanisole
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 16.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.19 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.17 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.766 | Crippen Calculated Property | |
| McVol | 123.190 | ml/mol | McGowan Calculated Property |
| Tboil | 508.86 | K | Relay (1.0) Calculated Property |
| Tc | 720.66 | K | Relay (1.0) Calculated Property |
| Tfus | 279.85 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [234.41; 292.05] | J/mol×K | [507.66; 736.20] | 
|
| Cp,gas | 234.41 | J/mol×K | 507.66 | Joback Calculated Property |
| Cp,gas | 245.46 | J/mol×K | 545.75 | Joback Calculated Property |
| Cp,gas | 255.92 | J/mol×K | 583.84 | Joback Calculated Property |
| Cp,gas | 265.79 | J/mol×K | 621.93 | Joback Calculated Property |
| Cp,gas | 275.10 | J/mol×K | 660.02 | Joback Calculated Property |
| Cp,gas | 283.84 | J/mol×K | 698.11 | Joback Calculated Property |
| Cp,gas | 292.05 | J/mol×K | 736.20 | Joback Calculated Property |
| η | [0.0002318; 0.0012829] | Pa×s | [313.41; 507.66] |
|
| η | 0.0012829 | Pa×s | 313.41 | Joback Calculated Property |
| η | 0.0008440 | Pa×s | 345.79 | Joback Calculated Property |
| η | 0.0005966 | Pa×s | 378.16 | Joback Calculated Property |
| η | 0.0004454 | Pa×s | 410.54 | Joback Calculated Property |
| η | 0.0003470 | Pa×s | 442.91 | Joback Calculated Property |
| η | 0.0002797 | Pa×s | 475.29 | Joback Calculated Property |
| η | 0.0002318 | Pa×s | 507.66 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Bromo-5-methoxytoluene.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback 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.
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