- InChI
- InChI=1S/C6H3BrCl2/c7-6-4(8)2-1-3-5(6)9/h1-3H
- InChI Key
- UWOIDOQAQPUVOH-UHFFFAOYSA-N
- Formula
- C6H3BrCl2
- SMILES
- Clc1cccc(Cl)c1Br
- Molecular Weight1
- 225.90
- CAS
- 19393-92-1
- Other Names
-
- 1-Bromo-2,6-dichlorobenzene
- 2-Bromo-1,3-dichlorobenzene
- 1,3-Dichloro-2-bromobenzene
- 2,6-Dichlorobromobenzene
- Benzene, 2-bromo-1,3-dichloro-
- 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 | 0.3504 | Relay (1.0) Calculated Property | |
| ΔfG° | 83.25 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 63.06 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.15 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.98 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.14 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.756 | Crippen Calculated Property | |
| McVol | 113.620 | ml/mol | McGowan Calculated Property |
| Pc | 4456.32 | kPa | Joback Calculated Property |
| Tboil | 515.00 | K | NIST |
| Tc | 752.22 | K | Relay (1.0) Calculated Property |
| Tfus | 338.00 | K | NIST |
| Vc | 0.407 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 515.20 | K | 102.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [121.41; 229.88] | 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 | 2.61000e+01 | |||
| Coefficient B | 4.27700e-01 | |||
| Coefficient C | -3.11920e-04 | |||
| Coefficient D | 8.80000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 121.41 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 142.27 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 160.28 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 175.72 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 188.86 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 199.98 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 209.37 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 217.30 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 224.04 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 229.88 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0013932; 0.0002906] | Pa×s | [338.00; 536.08] |
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 | -1.08179e+01 | |||
| Coefficient B | 1.43372e+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. | 338.00 | |||
| Temperature range, max. | 536.08 | |||
| η | 0.0013932 | Pa×s | 338.00 | Calculated Property |
| η | 0.0010750 | Pa×s | 360.01 | Calculated Property |
| η | 0.0008546 | Pa×s | 382.02 | Calculated Property |
| η | 0.0006966 | Pa×s | 404.03 | Calculated Property |
| η | 0.0005799 | Pa×s | 426.04 | Calculated Property |
| η | 0.0004915 | Pa×s | 448.04 | Calculated Property |
| η | 0.0004231 | Pa×s | 470.05 | Calculated Property |
| η | 0.0003692 | Pa×s | 492.06 | Calculated Property |
| η | 0.0003259 | Pa×s | 514.07 | Calculated Property |
| η | 0.0002906 | Pa×s | 536.08 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-bromo-2,6-dichloro-.
Sources
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