- 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).
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 201.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 54.20 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.01 | kJ/mol | Joback Calculated Property |
| log10WS | -4.62 | Crippen Calculated Property | |
| logPoct/wat | 3.917 | Crippen Calculated Property | |
| McVol | 158.890 | ml/mol | McGowan Calculated Property |
| Pc | 3940.66 | kPa | Joback Calculated Property |
| Tboil | 651.35 | K | Joback Calculated Property |
| Tc | 906.43 | K | Joback Calculated Property |
| Tfus | 443.03 | K | Joback Calculated Property |
| Vc | 0.579 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [339.33; 395.44] | J/mol×K | [651.35; 906.43] | 
|
| Cp,gas | 339.33 | J/mol×K | 651.35 | Joback Calculated Property |
| Cp,gas | 350.52 | J/mol×K | 693.86 | Joback Calculated Property |
| Cp,gas | 360.89 | J/mol×K | 736.38 | Joback Calculated Property |
| Cp,gas | 370.51 | J/mol×K | 778.89 | Joback Calculated Property |
| Cp,gas | 379.44 | J/mol×K | 821.40 | Joback Calculated Property |
| Cp,gas | 387.73 | J/mol×K | 863.92 | Joback Calculated Property |
| Cp,gas | 395.44 | J/mol×K | 906.43 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,6-Dibromo-4-isopropylaniline.
Sources
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