- InChI
- InChI=1S/C14H12BrN/c15-14-8-6-13(7-9-14)11-16-10-12-4-2-1-3-5-12/h1-9,11H,10H2/b16-11+
- InChI Key
- BXKIXPVEFBTGCW-LFIBNONCSA-N
- Formula
- C14H12BrN
- SMILES
- Brc1ccc(C=NCc2ccccc2)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 | 0.5262 | Relay (1.0) Calculated Property | |
| ΔfG° | 327.74 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 275.46 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 89.55 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.55 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.80 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.068 | Crippen Calculated Property | |
| McVol | 183.780 | ml/mol | McGowan Calculated Property |
| Pc | 2627.15 | kPa | Joback Calculated Property |
| Inp | 2143.00 | NIST | |
| Tboil | 629.64 | K | Relay (1.0) Calculated Property |
| Tc | 873.82 | K | Relay (1.0) Calculated Property |
| Tfus | 347.01 | K | Relay (1.0) Calculated Property |
| Vc | 0.651 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to p-bromobenzylidene-benzyl-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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