- InChI
- InChI=1S/C7H6Br2O/c1-10-7-3-2-5(8)4-6(7)9/h2-4H,1H3
- InChI Key
- XGXUGXPKRBQINS-UHFFFAOYSA-N
- Formula
- C7H6Br2O
- SMILES
- COc1ccc(Br)cc1Br
- Molecular Weight1
- 265.93
- CAS
- 21702-84-1
- Other Names
-
- 2,4-Dibromoanisole
- 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).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 | 0.4379 | Relay (... Calculated Property | |
| ΔfG° | 24.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -29.03 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 18.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.13 | kJ/mol | Relay (... Calculated Property |
| IE | 8.24 | eV | Relay (... Calculated Property |
| log10WS | -4.07 | Relay (... Calculated Property | |
| logPoct/wat | 3.220 | Crippen Calculated Property | |
| McVol | 126.600 | ml/mol | McGowan Calculated Property |
| Pc | 4640.32 | kPa | Joback Calculated Property |
| Inp | [1448.00; 1448.00] |
|
|
| Inp | 1448.00 | NIST | |
| Inp | 1448.00 | NIST | |
| Tboil | 528.17 | K | Relay (... Calculated Property |
| Tc | 751.93 | K | Relay (... Calculated Property |
| Tfus | 317.69 | K | Relay (... Calculated Property |
| Vc | 0.436 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [223.27; 268.69] | J/mol×K | [550.94; 799.62] |
|
| Cp,gas | 223.27 | J/mol×K | 550.94 | Joback Calculated Property |
| Cp,gas | 232.27 | J/mol×K | 592.39 | Joback Calculated Property |
| Cp,gas | 240.67 | J/mol×K | 633.83 | Joback Calculated Property |
| Cp,gas | 248.48 | J/mol×K | 675.28 | Joback Calculated Property |
| Cp,gas | 255.74 | J/mol×K | 716.73 | Joback Calculated Property |
| Cp,gas | 262.46 | J/mol×K | 758.18 | Joback Calculated Property |
| Cp,gas | 268.69 | J/mol×K | 799.62 | Joback Calculated Property |
| η | [0.0002535; 0.0011466] | Pa×s | [361.94; 550.94] |
|
| η | 0.0011466 | Pa×s | 361.94 | Joback Calculated Property |
| η | 0.0008062 | Pa×s | 393.44 | Joback Calculated Property |
| η | 0.0005973 | Pa×s | 424.94 | Joback Calculated Property |
| η | 0.0004612 | Pa×s | 456.44 | Joback Calculated Property |
| η | 0.0003682 | Pa×s | 487.94 | Joback Calculated Property |
| η | 0.0003021 | Pa×s | 519.44 | Joback Calculated Property |
| η | 0.0002535 | Pa×s | 550.94 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 376.70 | K | 0.10 | NIST |
Similar Compounds
Find more compounds similar to Benzene, 2,4-dibromo-1-methoxy-.
Sources
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