- InChI
- InChI=1S/C6H3BrCl2O/c7-4-1-3(8)2-5(9)6(4)10/h1-2,10H
- InChI Key
- FRPHJINKMDMSPH-UHFFFAOYSA-N
- Formula
- C6H3BrCl2O
- SMILES
- Oc1c(Cl)cc(Cl)cc1Br
- Molecular Weight1
- 241.90
- CAS
- 4524-77-0
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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 | 0.5308 | Relay (1.0) Calculated Property | |
| ΔfG° | -71.37 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -93.47 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.44 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.54 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.10 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.462 | Crippen Calculated Property | |
| McVol | 119.490 | ml/mol | McGowan Calculated Property |
| Pc | 5495.11 | kPa | Joback Calculated Property |
| Tboil | 503.01 | K | Relay (1.0) Calculated Property |
| Tc | 810.41 | K | Relay (1.0) Calculated Property |
| Tfus | 341.00 | K | NIST |
| Vc | 0.410 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [209.03; 238.05] | J/mol×K | [594.96; 857.43] | 
|
| Cp,gas | 209.03 | J/mol×K | 594.96 | Joback Calculated Property |
| Cp,gas | 214.88 | J/mol×K | 638.71 | Joback Calculated Property |
| Cp,gas | 220.18 | J/mol×K | 682.45 | Joback Calculated Property |
| Cp,gas | 225.03 | J/mol×K | 726.20 | Joback Calculated Property |
| Cp,gas | 229.55 | J/mol×K | 769.94 | Joback Calculated Property |
| Cp,gas | 233.85 | J/mol×K | 813.69 | Joback Calculated Property |
| Cp,gas | 238.05 | J/mol×K | 857.43 | Joback Calculated Property |
| η | [0.0000546; 0.0005619] | Pa×s | [440.20; 594.96] |
|
| η | 0.0005619 | Pa×s | 440.20 | Joback Calculated Property |
| η | 0.0003421 | Pa×s | 465.99 | Joback Calculated Property |
| η | 0.0002194 | Pa×s | 491.79 | Joback Calculated Property |
| η | 0.0001471 | Pa×s | 517.58 | Joback Calculated Property |
| η | 0.0001024 | Pa×s | 543.37 | Joback Calculated Property |
| η | 0.0000737 | Pa×s | 569.17 | Joback Calculated Property |
| η | 0.0000546 | Pa×s | 594.96 | Joback Calculated Property |
| ΔvapH | 58.60 | kJ/mol | 449.00 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [493.00; 493.20] | K | [26.70; 26.70] |
|
| Tboilr | 493.20 | K | 26.70 | NIST |
| Tboilr | 493.00 | K | 26.70 | NIST |
Similar Compounds
Find more compounds similar to 2-bromo-4,6-dichlorophenol.
Sources
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