- InChI
- InChI=1S/C7H5BrCl2/c8-4-5-6(9)2-1-3-7(5)10/h1-3H,4H2
- InChI Key
- PDFGFQUSSYSWNI-UHFFFAOYSA-N
- Formula
- C7H5BrCl2
- SMILES
- Clc1cccc(Cl)c1CBr
- Molecular Weight1
- 239.93
- CAS
- 20443-98-5
- Other Names
-
- 2,6-Dichlorobenzyl bromide
- Toluene, «alpha»-bromo-2,6-dichloro-
- alpha-bromo-2,6-dichlorotoluene
- «alpha»-Bromo-2,6-dichlorotoluene
- 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 | 0.4454 | Relay (1.0) Calculated Property | |
| ΔfG° | 91.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 21.03 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.73 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.12 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.12 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.888 | Crippen Calculated Property | |
| McVol | 127.710 | ml/mol | McGowan Calculated Property |
| Pc | 3935.71 | kPa | Joback Calculated Property |
| Tboil | 539.14 | K | Relay (1.0) Calculated Property |
| Tc | 756.18 | K | Relay (1.0) Calculated Property |
| Tfus | 329.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.443 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [142.62; 281.47] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 2.51910e+01 | |||
| Coefficient B | 5.22700e-01 | |||
| Coefficient C | -3.66320e-04 | |||
| Coefficient D | 9.99000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 142.62 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 168.69 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 191.36 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 210.94 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 227.77 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 242.14 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 254.39 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 264.81 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 273.73 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 281.47 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0018094; 0.0002828] | Pa×s | [329.15; 548.46] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.09567e+01 | |||
| Coefficient B | 1.52788e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 329.15 | |||
| Temperature range, max. | 548.46 | |||
| η | 0.0018094 | Pa×s | 329.15 | Calculated Property |
| η | 0.0013139 | Pa×s | 353.52 | Calculated Property |
| η | 0.0009943 | Pa×s | 377.89 | Calculated Property |
| η | 0.0007783 | Pa×s | 402.25 | Calculated Property |
| η | 0.0006265 | Pa×s | 426.62 | Calculated Property |
| η | 0.0005163 | Pa×s | 450.99 | Calculated Property |
| η | 0.0004340 | Pa×s | 475.36 | Calculated Property |
| η | 0.0003710 | Pa×s | 499.73 | Calculated Property |
| η | 0.0003219 | Pa×s | 524.09 | Calculated Property |
| η | 0.0002828 | Pa×s | 548.46 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 2-(bromomethyl)-1,3-dichloro-.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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