- InChI
- InChI=1S/C14H12BrN/c1-11-5-7-12(8-6-11)10-16-14-4-2-3-13(15)9-14/h2-10H,1H3
- InChI Key
- JOVMSELNSBEJTQ-UHFFFAOYSA-N
- Formula
- C14H12BrN
- SMILES
- Cc1ccc(C=Nc2cccc(Br)c2)cc1
- Molecular Weight1
- 274.16
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation 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).
- Inp : Non-polar retention indices.
- 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 | 0.5344 | Relay (1.0) Calculated Property | |
| ΔfG° | 299.92 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 251.36 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 84.26 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.11 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.04 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.508 | Crippen Calculated Property | |
| McVol | 183.780 | ml/mol | McGowan Calculated Property |
| Pc | 2587.22 | kPa | Joback Calculated Property |
| Inp | [2202.00; 2202.00] |
|
|
| Inp | 2202.00 | NIST | |
| Inp | 2202.00 | NIST | |
| Tboil | 633.30 | K | Relay (1.0) Calculated Property |
| Tc | 878.62 | K | Relay (1.0) Calculated Property |
| Tfus | 336.78 | K | Relay (1.0) Calculated Property |
| Vc | 0.650 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
![Benzenamine, N-[(4-methylphenyl)methylene]-.](data:image/png;base64,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)
Find more compounds similar to p-methylbenzylidene-(3-bromophenyl)-amine.
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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