- InChI
- InChI=1S/C13H9BrClN/c14-11-3-7-13(8-4-11)16-9-10-1-5-12(15)6-2-10/h1-9H/b16-9+
- InChI Key
- TXWQGAMPPNBAPT-CXUHLZMHSA-N
- Formula
- C13H9BrClN
- SMILES
- Clc1ccc(C=Nc2ccc(Br)cc2)cc1
- Molecular Weight1
- 294.57
- 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 | 0.5363 | Relay (1.0) Calculated Property | |
| ΔfG° | 274.48 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 250.42 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 87.77 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.04 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.26 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.853 | Crippen Calculated Property | |
| McVol | 181.930 | ml/mol | McGowan Calculated Property |
| Pc | 2749.78 | kPa | Joback Calculated Property |
| Inp | [2287.00; 2287.00] |
|
|
| Inp | 2287.00 | NIST | |
| Inp | 2287.00 | NIST | |
| Tboil | 640.74 | K | Relay (1.0) Calculated Property |
| Tc | 891.85 | K | Relay (1.0) Calculated Property |
| Tfus | 406.31 | K | Relay (1.0) Calculated Property |
| Vc | 0.634 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to p-chlorobenzylidene-(4-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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