- InChI
- InChI=1S/C9H12BrN/c1-5-4-6(2)9(11)7(3)8(5)10/h4H,11H2,1-3H3
- InChI Key
- MVLMPTBHZPYDBZ-UHFFFAOYSA-N
- Formula
- C9H12BrN
- SMILES
- Cc1cc(C)c(Br)c(C)c1N
- Molecular Weight1
- 214.10
- CAS
- 82842-52-2
- 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 | 0.5224 | Relay (1.0) Calculated Property | |
| ΔfG° | 179.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 34.97 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.75 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.58 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.27 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.957 | Crippen Calculated Property | |
| McVol | 141.390 | ml/mol | McGowan Calculated Property |
| Pc | 3522.09 | kPa | Joback Calculated Property |
| Tboil | 561.23 | K | Relay (1.0) Calculated Property |
| Tc | 786.29 | K | Relay (1.0) Calculated Property |
| Tfus | 367.86 | K | Relay (1.0) Calculated Property |
| Vc | 0.493 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [305.80; 366.87] | J/mol×K | [590.61; 828.88] | 
|
| Cp,gas | 305.80 | J/mol×K | 590.61 | Joback Calculated Property |
| Cp,gas | 317.61 | J/mol×K | 630.32 | Joback Calculated Property |
| Cp,gas | 328.73 | J/mol×K | 670.03 | Joback Calculated Property |
| Cp,gas | 339.19 | J/mol×K | 709.74 | Joback Calculated Property |
| Cp,gas | 349.02 | J/mol×K | 749.46 | Joback Calculated Property |
| Cp,gas | 358.24 | J/mol×K | 789.17 | Joback Calculated Property |
| Cp,gas | 366.87 | J/mol×K | 828.88 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Bromo-2,4,6-trimethylaniline.
Sources
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