- InChI
- InChI=1S/C13H9BrClN/c14-11-6-4-10(5-7-11)9-16-13-3-1-2-12(15)8-13/h1-9H/b16-9+
- InChI Key
- XDFPXOIYHYSRQC-CXUHLZMHSA-N
- Formula
- C13H9BrClN
- SMILES
- Clc1cccc(N=Cc2ccc(Br)cc2)c1
- 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 | 0.5305 | Relay (... Calculated Property | |
| ΔfG° | 275.47 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | 247.27 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 87.90 | kJ/mol | Relay (... Calculated Property |
| IE | 8.21 | eV | Relay (... Calculated Property |
| log10WS | -5.27 | Relay (... 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 | 2272.00 | NIST | |
| Tboil | 639.06 | K | Relay (... Calculated Property |
| Tc | 894.46 | K | Relay (... Calculated Property |
| Tfus | 361.05 | K | Relay (... Calculated Property |
| Vc | 0.635 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to p-bromobenzylidene-(3-chlorophenyl)-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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