- InChI
- InChI=1S/C12H15Br2N/c13-10-6-9(7-11(14)12(10)15)8-4-2-1-3-5-8/h6-8H,1-5,15H2
- InChI Key
- HWWWUEPYMLJAJK-UHFFFAOYSA-N
- Formula
- C12H15Br2N
- SMILES
- Nc1c(Br)cc(C2CCCCC2)cc1Br
- Molecular Weight1
- 333.06
- CAS
- 175135-11-2
- 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 | 0.5492 | Relay (1.0) Calculated Property | |
| ΔfG° | 253.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 41.01 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.80 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.83 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.75 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.841 | Crippen Calculated Property | |
| McVol | 190.300 | ml/mol | McGowan Calculated Property |
| Pc | 3526.27 | kPa | Joback Calculated Property |
| Tboil | 638.29 | K | Relay (1.0) Calculated Property |
| Tc | 888.04 | K | Relay (1.0) Calculated Property |
| Tfus | 382.90 | K | Relay (1.0) Calculated Property |
| Vc | 0.632 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [478.53; 552.96] | J/mol×K | [739.98; 1014.63] | 
|
| Cp,gas | 478.53 | J/mol×K | 739.98 | Joback Calculated Property |
| Cp,gas | 493.99 | J/mol×K | 785.76 | Joback Calculated Property |
| Cp,gas | 508.09 | J/mol×K | 831.53 | Joback Calculated Property |
| Cp,gas | 520.94 | J/mol×K | 877.31 | Joback Calculated Property |
| Cp,gas | 532.64 | J/mol×K | 923.08 | Joback Calculated Property |
| Cp,gas | 543.28 | J/mol×K | 968.86 | Joback Calculated Property |
| Cp,gas | 552.96 | J/mol×K | 1014.63 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,6-Dibromo-4-cyclohexylaniline.
Sources
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