- InChI
- InChI=1S/C8H7BrO2/c1-11-8-3-2-6(5-10)4-7(8)9/h2-5H,1H3
- InChI Key
- QMPNFQLVIGPNEI-UHFFFAOYSA-N
- Formula
- C8H7BrO2
- SMILES
- COc1ccc(C=O)cc1Br
- Molecular Weight1
- 215.04
- CAS
- 34841-06-0
- Other Names
-
- Benzaldehyde, 3-bromo-4-methoxy-
- p-Anisaldehyde, 3-bromo-
- 3-Bromo-p-anisaldehyde
- 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 | 0.4960 | Relay (1.0) Calculated Property | |
| ΔfG° | -80.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -176.48 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.25 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.86 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.53 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.270 | Crippen Calculated Property | |
| McVol | 124.760 | ml/mol | McGowan Calculated Property |
| Pc | 4114.41 | kPa | Joback Calculated Property |
| Tboil | 536.31 | K | Relay (1.0) Calculated Property |
| Tc | 783.50 | K | Relay (1.0) Calculated Property |
| Tfus | 334.95 | K | Relay (1.0) Calculated Property |
| Vc | 0.437 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [247.43; 296.97] | J/mol×K | [556.32; 788.01] | 
|
| Cp,gas | 247.43 | J/mol×K | 556.32 | Joback Calculated Property |
| Cp,gas | 257.11 | J/mol×K | 594.93 | Joback Calculated Property |
| Cp,gas | 266.20 | J/mol×K | 633.55 | Joback Calculated Property |
| Cp,gas | 274.72 | J/mol×K | 672.16 | Joback Calculated Property |
| Cp,gas | 282.68 | J/mol×K | 710.78 | Joback Calculated Property |
| Cp,gas | 290.09 | J/mol×K | 749.39 | Joback Calculated Property |
| Cp,gas | 296.97 | J/mol×K | 788.01 | Joback Calculated Property |
| η | [0.0002769; 0.0013992] | Pa×s | [355.41; 556.32] |
|
| η | 0.0013992 | Pa×s | 355.41 | Joback Calculated Property |
| η | 0.0009510 | Pa×s | 388.89 | Joback Calculated Property |
| η | 0.0006871 | Pa×s | 422.38 | Joback Calculated Property |
| η | 0.0005208 | Pa×s | 455.87 | Joback Calculated Property |
| η | 0.0004099 | Pa×s | 489.35 | Joback Calculated Property |
| η | 0.0003327 | Pa×s | 522.83 | Joback Calculated Property |
| η | 0.0002769 | Pa×s | 556.32 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Bromo-4-methoxybenzaldehyde.
Sources
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