- InChI
- InChI=1S/C14H20BrN/c1-2-3-4-5-6-11-16-12-13-7-9-14(15)10-8-13/h7-10,12H,2-6,11H2,1H3/b16-12+
- InChI Key
- XFQQLHLGBWQAHL-FOWTUZBSSA-N
- Formula
- C14H20BrN
- SMILES
- CCCCCCCN=Cc1ccc(Br)cc1
- Molecular Weight1
- 282.22
- 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 | 0.6620 | Relay (1.0) Calculated Property | |
| ΔfG° | 228.28 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 6.05 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 79.94 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.56 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.99 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.838 | Crippen Calculated Property | |
| McVol | 207.540 | ml/mol | McGowan Calculated Property |
| Pc | 1920.30 | kPa | Joback Calculated Property |
| Inp | [1975.00; 1975.00] |
|
|
| Inp | 1975.00 | NIST | |
| Inp | 1975.00 | NIST | |
| Tboil | 611.12 | K | Relay (1.0) Calculated Property |
| Tc | 806.69 | K | Relay (1.0) Calculated Property |
| Tfus | 306.15 | K | Relay (1.0) Calculated Property |
| Vc | 0.748 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to p-bromobenzylidene-heptyl-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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