- InChI
- InChI=1S/C7H6Br2/c8-5-6-3-1-2-4-7(6)9/h1-4H,5H2
- InChI Key
- LZSYGJNFCREHMD-UHFFFAOYSA-N
- Formula
- C7H6Br2
- SMILES
- BrCc1ccccc1Br
- Molecular Weight1
- 249.93
- CAS
- 3433-80-5
- Other Names
-
- o-Bromobenzyl bromide
- 2-Bromobenzyl bromide
- «alpha»-2-dibromotoluene
- 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).
- 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 | 0.4227 | Relay (1.0) Calculated Property | |
| ΔfG° | 139.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 86.38 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.72 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.00 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.66 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.344 | Crippen Calculated Property | |
| McVol | 120.730 | ml/mol | McGowan Calculated Property |
| Pc | 4849.43 | kPa | Joback Calculated Property |
| Tboil | 526.45 | K | Relay (1.0) Calculated Property |
| Tc | 740.31 | K | Relay (1.0) Calculated Property |
| Tfus | 304.00 | K | NIST |
| Vc | 0.419 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [204.04; 250.46] | J/mol×K | [523.54; 774.78] | 
|
| Cp,gas | 204.04 | J/mol×K | 523.54 | Joback Calculated Property |
| Cp,gas | 213.54 | J/mol×K | 565.41 | Joback Calculated Property |
| Cp,gas | 222.25 | J/mol×K | 607.29 | Joback Calculated Property |
| Cp,gas | 230.24 | J/mol×K | 649.16 | Joback Calculated Property |
| Cp,gas | 237.56 | J/mol×K | 691.03 | Joback Calculated Property |
| Cp,gas | 244.28 | J/mol×K | 732.90 | Joback Calculated Property |
| Cp,gas | 250.46 | J/mol×K | 774.78 | Joback Calculated Property |
| η | [0.0003242; 0.0018542] | Pa×s | [327.19; 523.54] |
|
| η | 0.0018542 | Pa×s | 327.19 | Joback Calculated Property |
| η | 0.0012150 | Pa×s | 359.91 | Joback Calculated Property |
| η | 0.0008542 | Pa×s | 392.64 | Joback Calculated Property |
| η | 0.0006340 | Pa×s | 425.37 | Joback Calculated Property |
| η | 0.0004911 | Pa×s | 458.09 | Joback Calculated Property |
| η | 0.0003935 | Pa×s | 490.81 | Joback Calculated Property |
| η | 0.0003242 | Pa×s | 523.54 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [398.00; 418.00] | K | [1.70; 3.30] |
|
| Tboilr | 398.00 ± 5.00 | K | 1.70 | NIST |
| Tboilr | 402.20 | K | 2.50 | NIST |
| Tboilr | 418.00 ± 2.00 | K | 3.30 | NIST |
Similar Compounds
Find more compounds similar to Benzene, 1-bromo-2-(bromomethyl)-.
Sources
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