- InChI
- InChI=1S/C9H11Br2N/c1-5(2)6-3-7(10)9(12)8(11)4-6/h3-5H,12H2,1-2H3
- InChI Key
- CJEBZUFROMNDEK-UHFFFAOYSA-N
- Formula
- C9H11Br2N
- SMILES
- CC(C)c1cc(Br)c(N)c(Br)c1
- Molecular Weight1
- 293.00
- CAS
- 10546-65-3
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | 34.77 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.79 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.85 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.917 | Crippen Calculated Property | |
| McVol | 158.890 | ml/mol | McGowan Calculated Property |
| Tboil | 569.65 | K | Relay (1.0) Calculated Property |
| Tfus | 329.41 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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 | [194.83; 410.65] | 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 | 2.48900e+01 | |||
| Coefficient B | 7.45640e-01 | |||
| Coefficient C | -4.85280e-04 | |||
| Coefficient D | 1.25400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 194.83 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 233.50 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 267.56 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 297.43 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 323.49 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 346.15 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 365.80 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 382.83 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 397.65 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 410.65 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 2,6-Dibromo-4-isopropylaniline.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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