- InChI
- InChI=1S/C7H7BrN2O2/c1-4-2-5(8)3-6(7(4)9)10(11)12/h2-3H,9H2,1H3
- InChI Key
- ZXFVKFUXKFPUQJ-UHFFFAOYSA-N
- Formula
- C7H7BrN2O2
- SMILES
- Cc1cc(Br)cc([N+](=O)[O-])c1N
- Molecular Weight1
- 231.05
- CAS
- 77811-44-0
- Other Names
-
- Benzenamine, 4-bromo-2-methyl-6-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 | 0.6064 | Relay (1.0) Calculated Property | |
| ΔfG° | 207.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 69.45 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.21 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.35 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.69 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.248 | Crippen Calculated Property | |
| McVol | 130.630 | ml/mol | McGowan Calculated Property |
| Pc | 4652.99 | kPa | Joback Calculated Property |
| Tboil | 578.05 | K | Relay (1.0) Calculated Property |
| Tc | 850.23 | K | Relay (1.0) Calculated Property |
| Tfus | 412.73 | K | Relay (1.0) Calculated Property |
| Vc | 0.436 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [295.35; 339.68] | J/mol×K | [691.71; 962.68] | 
|
| Cp,gas | 295.35 | J/mol×K | 691.71 | Joback Calculated Property |
| Cp,gas | 304.48 | J/mol×K | 736.87 | Joback Calculated Property |
| Cp,gas | 312.84 | J/mol×K | 782.03 | Joback Calculated Property |
| Cp,gas | 320.50 | J/mol×K | 827.20 | Joback Calculated Property |
| Cp,gas | 327.49 | J/mol×K | 872.36 | Joback Calculated Property |
| Cp,gas | 333.87 | J/mol×K | 917.52 | Joback Calculated Property |
| Cp,gas | 339.68 | J/mol×K | 962.68 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Bromo-2-methyl-6-nitroaniline.
Sources
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