- InChI
- InChI=1S/C6H5BrClN/c7-5-2-1-4(9)3-6(5)8/h1-3H,9H2
- InChI Key
- QLYHPNUFNZJXOQ-UHFFFAOYSA-N
- Formula
- C6H5BrClN
- SMILES
- Nc1ccc(Br)c(Cl)c1
- Molecular Weight1
- 206.47
- CAS
- 21402-26-6
- Other Names
-
- Benzenamine, 4-bromo-3-chloro-
- Aniline, 4-bromo-3-chloro
- 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).
- 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).
- Inp : Non-polar retention indices.
- 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 |
|---|---|---|---|
| ΔfG° | 161.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 90.80 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.01 | kJ/mol | Joback Calculated Property |
| log10WS | -2.95 | Crippen Calculated Property | |
| logPoct/wat | 2.685 | Crippen Calculated Property | |
| McVol | 111.360 | ml/mol | McGowan Calculated Property |
| Pc | 5073.01 | kPa | Joback Calculated Property |
| Inp | 1468.00 | NIST | |
| Tboil | 549.44 | K | Joback Calculated Property |
| Tc | 805.41 | K | Joback Calculated Property |
| Tfus | 381.82 | K | Joback Calculated Property |
| Vc | 0.404 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [198.79; 238.31] | J/mol×K | [549.44; 805.41] | 
|
| Cp,gas | 198.79 | J/mol×K | 549.44 | Joback Calculated Property |
| Cp,gas | 206.83 | J/mol×K | 592.10 | Joback Calculated Property |
| Cp,gas | 214.23 | J/mol×K | 634.76 | Joback Calculated Property |
| Cp,gas | 221.04 | J/mol×K | 677.42 | Joback Calculated Property |
| Cp,gas | 227.30 | J/mol×K | 720.08 | Joback Calculated Property |
| Cp,gas | 233.04 | J/mol×K | 762.74 | Joback Calculated Property |
| Cp,gas | 238.31 | J/mol×K | 805.41 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Bromo-3-chloroaniline.
Sources
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