- InChI
- InChI=1S/C7H6Br2ClN/c1-3-2-4(8)7(11)5(9)6(3)10/h2H,11H2,1H3
- InChI Key
- XBSGYHXODZBFBM-UHFFFAOYSA-N
- Formula
- C7H6Br2ClN
- SMILES
- Cc1cc(Br)c(N)c(Br)c1Cl
- Molecular Weight1
- 299.39
- CAS
- 84483-22-7
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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 | 0.5270 | Relay (1.0) Calculated Property | |
| ΔfG° | 165.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 90.91 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.53 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.89 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.35 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.756 | Crippen Calculated Property | |
| McVol | 142.950 | ml/mol | McGowan Calculated Property |
| Pc | 4684.89 | kPa | Joback Calculated Property |
| Tboil | 592.72 | K | Relay (1.0) Calculated Property |
| Tc | 844.51 | K | Relay (1.0) Calculated Property |
| Tfus | 397.98 | K | Relay (1.0) Calculated Property |
| Vc | 0.484 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [264.03; 302.77] | J/mol×K | [648.44; 913.71] | 
|
| Cp,gas | 264.03 | J/mol×K | 648.44 | Joback Calculated Property |
| Cp,gas | 271.78 | J/mol×K | 692.65 | Joback Calculated Property |
| Cp,gas | 278.95 | J/mol×K | 736.86 | Joback Calculated Property |
| Cp,gas | 285.59 | J/mol×K | 781.07 | Joback Calculated Property |
| Cp,gas | 291.74 | J/mol×K | 825.28 | Joback Calculated Property |
| Cp,gas | 297.45 | J/mol×K | 869.50 | Joback Calculated Property |
| Cp,gas | 302.77 | J/mol×K | 913.71 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Chloro-2,6-dibromo-4-methylaniline.
Sources
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