- InChI
- InChI=1S/C7H7BrO/c1-9-7-4-2-3-6(8)5-7/h2-5H,1H3
- InChI Key
- PLDWAJLZAAHOGG-UHFFFAOYSA-N
- Formula
- C7H7BrO
- SMILES
- COc1cccc(Br)c1
- Molecular Weight1
- 187.03
- CAS
- 2398-37-0
- Other Names
-
- Anisole, m-bromo-
- m-Anisyl bromide
- m-Bromoanisole
- 3-Bromoanisole
- m-Bromomethoxybenzene
- m-Bromophenyl methyl ether
- m-Methoxybromobenzene
- 3-Methoxybromobenzene
- 3-Methoxy-1-bromobenzene
- m-Methoxyphenyl bromide
- 3-Methoxyphenyl bromide
- 3-Bromoanisol
- 1-Bromo-3-methoxybenzene
- NSC 82293
- 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).
- 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° | 20.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -68.64 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.00 ± 1.20 | kJ/mol | NIST |
| IE | 8.70 ± 0.10 | eV | NIST |
| log10WS | -2.75 | Crippen Calculated Property | |
| logPoct/wat | 2.458 | Crippen Calculated Property | |
| McVol | 109.100 | ml/mol | McGowan Calculated Property |
| Pc | 4316.89 | kPa | Joback Calculated Property |
| Inp | [1100.00; 1149.00] |
|
|
| Inp | 1149.00 | NIST | |
| Inp | 1100.00 | NIST | |
| Inp | 1100.00 | NIST | |
| Inp | 1149.00 | NIST | |
| Tboil | [483.50; 483.70] | K |
|
| Tboil | 483.70 | K | NIST |
| Tboil | 483.50 ± 0.50 | K | NIST |
| Tc | 711.08 | K | Joback Calculated Property |
| Tfus | 289.62 | K | Joback Calculated Property |
| Vc | 0.400 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [194.04; 246.33] | J/mol×K | [479.80; 711.08] |
|
| Cp,gas | 194.04 | J/mol×K | 479.80 | Joback Calculated Property |
| Cp,gas | 204.18 | J/mol×K | 518.35 | Joback Calculated Property |
| Cp,gas | 213.74 | J/mol×K | 556.89 | Joback Calculated Property |
| Cp,gas | 222.71 | J/mol×K | 595.44 | Joback Calculated Property |
| Cp,gas | 231.12 | J/mol×K | 633.98 | Joback Calculated Property |
| Cp,gas | 238.99 | J/mol×K | 672.53 | Joback Calculated Property |
| Cp,gas | 246.33 | J/mol×K | 711.08 | Joback Calculated Property |
| η | [0.0002571; 0.0016504] | Pa×s | [289.62; 479.80] |
|
| η | 0.0016504 | Pa×s | 289.62 | Joback Calculated Property |
| η | 0.0010390 | Pa×s | 321.32 | Joback Calculated Property |
| η | 0.0007108 | Pa×s | 353.01 | Joback Calculated Property |
| η | 0.0005176 | Pa×s | 384.71 | Joback Calculated Property |
| η | 0.0003956 | Pa×s | 416.41 | Joback Calculated Property |
| η | 0.0003141 | Pa×s | 448.10 | Joback Calculated Property |
| η | 0.0002571 | Pa×s | 479.80 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-bromo-3-methoxy-.
Sources
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