- InChI
- InChI=1S/C7H8BrN/c1-5-2-3-7(9)6(8)4-5/h2-4H,9H2,1H3
- InChI Key
- UVRRJILIXQAAFK-UHFFFAOYSA-N
- Formula
- C7H8BrN
- SMILES
- Cc1ccc(N)c(Br)c1
- Molecular Weight1
- 186.05
- CAS
- 583-68-6
- Other Names
-
- 2-Bromo-4-methylaniline
- 4-Amino-3-bromotoluene
- p-Toluidine, 2-bromo-
- 2-Bromo-p-toluidine
- 2-Bromo-4-toluidine
- o-Bromo-p-toluidine
- 2-Bromo-4-methylbenzenamine
- 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).
- 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 |
|---|---|---|---|
| ω | 0.4661 | Relay (1.0) Calculated Property | |
| ΔfG° | 181.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 82.70 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.70 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.82 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.44 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.340 | Crippen Calculated Property | |
| McVol | 113.210 | ml/mol | McGowan Calculated Property |
| Pc | 4672.09 | kPa | Joback Calculated Property |
| Inp | 1282.90 | NIST | |
| Tboil | 513.20 | K | NIST |
| Tc | 764.92 | K | Relay (1.0) Calculated Property |
| Tfus | 314.09 | K | Relay (1.0) Calculated Property |
| Vc | 0.396 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [220.00; 271.11] | J/mol×K | [534.89; 781.07] | 
|
| Cp,gas | 220.00 | J/mol×K | 534.89 | Joback Calculated Property |
| Cp,gas | 230.14 | J/mol×K | 575.92 | Joback Calculated Property |
| Cp,gas | 239.59 | J/mol×K | 616.95 | Joback Calculated Property |
| Cp,gas | 248.36 | J/mol×K | 657.98 | Joback Calculated Property |
| Cp,gas | 256.52 | J/mol×K | 699.01 | Joback Calculated Property |
| Cp,gas | 264.09 | J/mol×K | 740.04 | Joback Calculated Property |
| Cp,gas | 271.11 | J/mol×K | 781.07 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzenamine, 2-bromo-4-methyl-.
Sources
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