- InChI
- InChI=1S/C8H9BrO2/c1-10-7-4-3-6(9)5-8(7)11-2/h3-5H,1-2H3
- InChI Key
- KBTMGSMZIKLAHN-UHFFFAOYSA-N
- Formula
- C8H9BrO2
- SMILES
- COc1ccc(Br)cc1OC
- Molecular Weight1
- 217.06
- CAS
- 2859-78-1
- Other Names
-
- 1-Bromo-3,4-dimethoxybenzene
- 4-Bromo-1,2-dimethoxybenzene
- 4-Bromoveratrole
- 3,4-Dimethoxybromobenzene
- 3,4-Dimethoxyphenyl bromide
- p-Bromoveratrole
- 4-Bromoguaiacol, methyl ether
- Bromoveratrole
- 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° | -86.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -232.97 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.26 | kJ/mol | Joback Calculated Property |
| log10WS | -2.87 | Crippen Calculated Property | |
| logPoct/wat | 2.466 | Crippen Calculated Property | |
| McVol | 129.060 | ml/mol | McGowan Calculated Property |
| Pc | 3673.09 | kPa | Joback Calculated Property |
| Inp | [1423.70; 1423.70] |
|
|
| Inp | 1423.70 | NIST | |
| Inp | 1423.70 | NIST | |
| Tboil | 528.70 | K | NIST |
| Tc | 755.88 | K | Joback Calculated Property |
| Tfus | 335.64 | K | Joback Calculated Property |
| Vc | 0.473 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [256.01; 313.56] | J/mol×K | [530.08; 755.88] |
|
| Cp,gas | 256.01 | J/mol×K | 530.08 | Joback Calculated Property |
| Cp,gas | 266.93 | J/mol×K | 567.71 | Joback Calculated Property |
| Cp,gas | 277.32 | J/mol×K | 605.35 | Joback Calculated Property |
| Cp,gas | 287.19 | J/mol×K | 642.98 | Joback Calculated Property |
| Cp,gas | 296.52 | J/mol×K | 680.61 | Joback Calculated Property |
| Cp,gas | 305.31 | J/mol×K | 718.25 | Joback Calculated Property |
| Cp,gas | 313.56 | J/mol×K | 755.88 | Joback Calculated Property |
| η | [0.0001906; 0.0010073] | Pa×s | [335.64; 530.08] |
|
| η | 0.0010073 | Pa×s | 335.64 | Joback Calculated Property |
| η | 0.0006754 | Pa×s | 368.05 | Joback Calculated Property |
| η | 0.0004832 | Pa×s | 400.45 | Joback Calculated Property |
| η | 0.0003634 | Pa×s | 432.86 | Joback Calculated Property |
| η | 0.0002844 | Pa×s | 465.27 | Joback Calculated Property |
| η | 0.0002298 | Pa×s | 497.67 | Joback Calculated Property |
| η | 0.0001906 | Pa×s | 530.08 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 4-bromo-1,2-dimethoxy-.
Sources
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