- 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
- 2-Bromo-4-methylbenzenamine
- 2-Bromo-4-toluidine
- 2-Bromo-p-toluidine
- 4-Amino-3-bromotoluene
- o-Bromo-p-toluidine
- p-Toluidine, 2-bromo-
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.4661 | Relay (1.0) Calculated Property | |
| ΔfusH° | 17.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.06 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.82 | eV | 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 | 766.81 | K | Relay (1.0) Calculated Property |
| Tfus | 288.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
Cheméo can also estimate Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [136.18; 300.90] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 5.90000e+00 | |||
| Coefficient B | 5.71020e-01 | |||
| Coefficient C | -3.68920e-04 | |||
| Coefficient D | 9.29000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 136.18 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 165.85 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 192.00 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 214.91 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 234.87 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 252.20 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 267.17 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 280.08 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 291.22 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 300.90 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzenamine, 2-bromo-4-methyl-.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
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