- InChI
- InChI=1S/C6H6BrN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2
- InChI Key
- WDFQBORIUYODSI-UHFFFAOYSA-N
- Formula
- C6H6BrN
- SMILES
- Nc1ccc(Br)cc1
- Molecular Weight1
- 172.02
- CAS
- 106-40-1
- Other Names
-
- Aniline, p-bromo-
- p-Bromoaniline
- p-Bromophenylamine
- 4-Bromoaniline
- 4-Bromanilinu
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔsubH° : Enthalpy of sublimation 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).
- 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° | 183.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 118.01 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.43 | kJ/mol | Joback Calculated Property |
| ΔsubH° | 79.40 ± 1.70 | kJ/mol | NIST |
| ΔvapH° | 48.96 | kJ/mol | Joback Calculated Property |
| IE | 7.70 ± 0.10 | eV | NIST |
| log10WS | -2.27 | Crippen Calculated Property | |
| logPoct/wat | 2.031 | Crippen Calculated Property | |
| McVol | 99.120 | ml/mol | McGowan Calculated Property |
| Pc | 5470.75 | kPa | Joback Calculated Property |
| Inp | [1245.00; 1248.00] |
|
|
| Inp | 1248.00 | NIST | |
| Inp | 1248.00 | NIST | |
| Inp | 1245.00 | NIST | |
| Inp | 1248.00 | NIST | |
| Tboil | 492.90 ± 0.60 | K | NIST |
| Tc | 757.06 | K | Joback Calculated Property |
| Tfus | 339.38 | K | Joback Calculated Property |
| Vc | 0.354 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [179.74; 225.18] | J/mol×K | [507.03; 757.06] |
|
| Cp,gas | 179.74 | J/mol×K | 507.03 | Joback Calculated Property |
| Cp,gas | 188.96 | J/mol×K | 548.70 | Joback Calculated Property |
| Cp,gas | 197.46 | J/mol×K | 590.37 | Joback Calculated Property |
| Cp,gas | 205.28 | J/mol×K | 632.05 | Joback Calculated Property |
| Cp,gas | 212.48 | J/mol×K | 673.72 | Joback Calculated Property |
| Cp,gas | 219.10 | J/mol×K | 715.39 | Joback Calculated Property |
| Cp,gas | 225.18 | J/mol×K | 757.06 | Joback Calculated Property |
| ΔfusH | [13.36; 16.75] | kJ/mol | [336.00; 336.00] |
|
| ΔfusH | 16.75 | kJ/mol | 336.00 | NIST |
| ΔfusH | 13.36 | kJ/mol | 336.00 | NIST |
Similar Compounds
Find more compounds similar to Benzenamine, 4-bromo-.
Sources
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