- InChI
- InChI=1S/C19H18BrP/c1-21(20,17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19/h2-16H,1H3
- InChI Key
- BKRKYEFQSANYGA-UHFFFAOYSA-N
- Formula
- C19H18BrP
- SMILES
-
CP(Br)(c1ccccc1)(c1ccccc1)c1cc
ccc1 - Molecular Weight1
- 357.22
- CAS
- 1779-49-3
- Other Names
-
- Phosphonium, methyltriphenyl-, bromide
- Triphenylmethylphosphonium bromide
- 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).
- 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.
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry.
Do not hesitate to contact us for your projects.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.5168 | Relay (1.0) Calculated Property | |
| ΔfG° | 446.15 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 342.34 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 89.35 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.14 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.10 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.456 | Crippen Calculated Property | |
| McVol | 249.550 | ml/mol | McGowan Calculated Property |
| Pc | 1904.16 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 652.55 | K | Relay (1.0) Calculated Property |
| Tc | 962.56 | K | Relay (1.0) Calculated Property |
| Tfus | 409.66 | K | Relay (1.0) Calculated Property |
| Vc | 0.831 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Methyltriphenylphosphonium bromide.
Mixtures
- Methyldiethanolamine + Methyltriphenylphosphonium bromide
- Glycerin + Methyltriphenylphosphonium bromide
- 1,2-Ethanediol + Methyltriphenylphosphonium bromide
- Triethylene glycol + Methyltriphenylphosphonium bromide
- Monoethanolamine + Methyltriphenylphosphonium bromide
- 1,2-Ethanediol + Octane + Methyltriphenylphosphonium bromide
- Octane + Glycerin + Methyltriphenylphosphonium bromide
- Propanedioic acid + Methyltriphenylphosphonium bromide
- n-Hexane + 1,2-Ethanediol + Methyltriphenylphosphonium bromide
- 1,2-Ethanediol + Thiophene + Methyltriphenylphosphonium bromide
- n-Hexane + Glycerin + Methyltriphenylphosphonium bromide
- Thiophene + Glycerin + Methyltriphenylphosphonium bromide
- 1,2-Ethanediol + Heptane + Methyltriphenylphosphonium bromide
- Acetamide, 2,2,2-trifluoro- + Methyltriphenylphosphonium bromide
- 1,2-Ethanediol + Oxygen + Methyltriphenylphosphonium bromide
- Oxygen + Acetamide, 2,2,2-trifluoro- + Methyltriphenylphosphonium bromide
- Glycerin + Oxygen + Methyltriphenylphosphonium 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.
- Crippen Method
- Crippen Method
- Prediction of refractive index and density of deep eutectic solvents using atomic contributions
- Electrical conductivity of ammonium and phosphonium based deepeutectic solvents: Measurements and artificial intelligence-basedprediction
- Monoethanolamine-based deep eutectic solvents, their synthesis and characterization
- Oil desulfurization using deep eutectic solvents as sustainable and economical extractants via liquid-liquid extraction: Experimental and PC-SAFT predictions
- Preparation and characterization of amine (N-methyl diethanolamine)-based transition temperature mixtures (deep eutectic analogues solvents)
- Densities of Ammonium and Phosphonium based Deep Eutectic Solvents: Prediction using Artificial Intelligent and Group Contribution Techniques
- Application of the Eotvos and Guggenheim empirical rules for predicting the density and surface tension of ionic liquids analogues
- Molar Heat Capacity of Selected Type III Deep Eutectic Solvents
- Effect of the Type of Ammonium Salt on the Extractive Desulfurization of Fuels Using Deep Eutectic Solvents
- Liquid-Liquid Equilibrium Measurements for the Extraction of Pyridine and Benzothiazole from n-Alkanes Using Deep Eutectic Solvents
- Phosphonium-Based Ionic Liquids Analogues and Their Physical Properties
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.