- InChI
- InChI=1S/C13H21N.BrH/c14-12-8-3-1-2-5-9-13-10-6-4-7-11-13;/h4,6-7,10-11H,1-3,5,8-9,12,14H2;1H
- InChI Key
- XIFLLVYWFJHJGW-UHFFFAOYSA-N
- Formula
- C13H22BrN
- SMILES
- [Br-].[NH3+]CCCCCCCc1ccccc1
- Molecular Weight1
- 272.22
- CAS
- 120375-50-0
- 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.
- Pc : Critical Pressure (kPa).
- 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 | 0.4687 | Relay (1.0) Calculated Property | |
| ΔfG° | 308.44 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -322.93 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 94.04 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.43 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.73 | Relay (1.0) Calculated Property | |
| Pc | 2916.52 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 624.49 | K | Relay (1.0) Calculated Property |
| Tc | 790.31 | K | Relay (1.0) Calculated Property |
| Tfus | 381.57 | K | Relay (1.0) Calculated Property |
| Vc | 0.640 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 7-Phenylheptylammonium bromide.
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.
- NIST Webbook
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