- InChI
- InChI=1S/C6H5BrN2O2/c7-5-2-1-4(9(10)11)3-6(5)8/h1-3H,8H2
- InChI Key
- BAAUCXCLMDAZEL-UHFFFAOYSA-N
- Formula
- C6H5BrN2O2
- SMILES
- Nc1cc([N+](=O)[O-])ccc1Br
- Molecular Weight1
- 217.02
- CAS
- 10403-47-1
- Other Names
-
- Benzenamine, 2-bromo-5-nitro-
- 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 | 0.5940 | Relay (1.0) Calculated Property | |
| ΔfG° | 209.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 85.23 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.67 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.69 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.33 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.939 | Crippen Calculated Property | |
| McVol | 116.540 | ml/mol | McGowan Calculated Property |
| Pc | 5446.55 | kPa | Joback Calculated Property |
| Tboil | 579.56 | K | Relay (1.0) Calculated Property |
| Tc | 852.03 | K | Relay (1.0) Calculated Property |
| Tfus | 409.48 | K | Relay (1.0) Calculated Property |
| Vc | 0.392 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [250.58; 289.78] | J/mol×K | [663.85; 941.03] | 
|
| Cp,gas | 250.58 | J/mol×K | 663.85 | Joback Calculated Property |
| Cp,gas | 258.82 | J/mol×K | 710.05 | Joback Calculated Property |
| Cp,gas | 266.30 | J/mol×K | 756.24 | Joback Calculated Property |
| Cp,gas | 273.07 | J/mol×K | 802.44 | Joback Calculated Property |
| Cp,gas | 279.20 | J/mol×K | 848.64 | Joback Calculated Property |
| Cp,gas | 284.75 | J/mol×K | 894.83 | Joback Calculated Property |
| Cp,gas | 289.78 | J/mol×K | 941.03 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Bromo-5-nitroaniline.
Sources
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