- InChI
- InChI=1S/C7H6BrCl/c1-5-4-6(9)2-3-7(5)8/h2-4H,1H3
- InChI Key
- RTIPTGMVQIIMKL-UHFFFAOYSA-N
- Formula
- C7H6BrCl
- SMILES
- Cc1cc(Cl)ccc1Br
- Molecular Weight1
- 205.48
- CAS
- 14495-51-3
- Other Names
-
- Toluene, 2-bromo-5-chloro-
- 2-Bromo-5-chlorotoluene
- 6-Bromo-3-chlorotoluene
- 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 | 0.3524 | Relay (1.0) Calculated Property | |
| ΔfG° | 103.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 42.70 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.49 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.72 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.19 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.411 | Crippen Calculated Property | |
| McVol | 115.470 | ml/mol | McGowan Calculated Property |
| Pc | 4124.99 | kPa | Joback Calculated Property |
| Tboil | 495.38 | K | Relay (1.0) Calculated Property |
| Tc | 713.89 | K | Relay (1.0) Calculated Property |
| Tfus | 291.18 | K | Relay (1.0) Calculated Property |
| Vc | 0.412 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [195.09; 241.62] | J/mol×K | [499.79; 740.87] | 
|
| Cp,gas | 195.09 | J/mol×K | 499.79 | Joback Calculated Property |
| Cp,gas | 204.33 | J/mol×K | 539.97 | Joback Calculated Property |
| Cp,gas | 212.93 | J/mol×K | 580.15 | Joback Calculated Property |
| Cp,gas | 220.93 | J/mol×K | 620.33 | Joback Calculated Property |
| Cp,gas | 228.35 | J/mol×K | 660.51 | Joback Calculated Property |
| Cp,gas | 235.24 | J/mol×K | 700.69 | Joback Calculated Property |
| Cp,gas | 241.62 | J/mol×K | 740.87 | Joback Calculated Property |
| η | [0.0003025; 0.0015976] | Pa×s | [309.83; 499.79] |
|
| η | 0.0015976 | Pa×s | 309.83 | Joback Calculated Property |
| η | 0.0010646 | Pa×s | 341.49 | Joback Calculated Property |
| η | 0.0007600 | Pa×s | 373.15 | Joback Calculated Property |
| η | 0.0005719 | Pa×s | 404.81 | Joback Calculated Property |
| η | 0.0004485 | Pa×s | 436.47 | Joback Calculated Property |
| η | 0.0003635 | Pa×s | 468.13 | Joback Calculated Property |
| η | 0.0003025 | Pa×s | 499.79 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [372.00; 372.20] | K | [3.30; 3.30] |
|
| Tboilr | 372.20 | K | 3.30 | NIST |
| Tboilr | 372.00 ± 1.00 | K | 3.30 | NIST |
Similar Compounds
Find more compounds similar to Benzene, 1-bromo-4-chloro-2-methyl-.
Sources
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