- InChI
- InChI=1S/C9H13N.BrH/c10-8-4-7-9-5-2-1-3-6-9;/h1-3,5-6H,4,7-8,10H2;1H
- InChI Key
- AKNWFTSJWORAMI-UHFFFAOYSA-N
- Formula
- C9H14BrN
- SMILES
- [Br-].[NH3+]CCCc1ccccc1
- Molecular Weight1
- 216.12
- 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 | 0.2667 | Relay (1.0) Calculated Property | |
| ΔfG° | 282.57 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -238.15 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 78.10 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.53 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.55 | Relay (1.0) Calculated Property | |
| Pc | 4620.61 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 551.90 | K | Relay (1.0) Calculated Property |
| Tc | 726.94 | K | Relay (1.0) Calculated Property |
| Tfus | 383.84 | K | Relay (1.0) Calculated Property |
| Vc | 0.410 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 3-Phenylpropylammonium 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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