ChemToolBox is based on the use of an internal database which gathers numerous scientific data through different modules:

• Solvents
• Solutions
• Elements
• Biochemistry
• Spectroscopy
• Calculations

 

Other modules are under development (polymers, organic chemistry, etc.) and will be soon available. In this connection, I invite you to regularly check the News section in order to follow its last updates. Note that data contained in each modules can be easily exported in HTML.

Here is the detailled description of each modules of ChemToolBox.

Solvents. For more than 150 usual solvents are gathered the following properties: molar mass, volumic mass, melting point, boiling point, refractive index, CAS number, chemical structure, solubility in water, non-miscibility, relative miscibility, 1H and 13C NMR, mass spectrometry, drying agents and cooling mixtures.

Solutions. This important module provides pKa of more than 140 acid/base couples, oxydo-reduction equations and associated potentials of more than 540 RedoX couples, pH areas of numerous colored indicators (acid/base and fluorescence), solubility products of 90 salts, formation constants of 160 complexes, andas well as emission and excitation wavelengths of several hundreds of fluorochroms.

Elements. For all elements all the periodic table, ChemToolBox gain you access to the following data : picture, symbol, atomic number, atomic mass, oxydation number, family, state, crystal structure, melting point, boiling point, density, electronegativity, first ionization potential, covalent/metalic/Van der Waals radius, electronic configuration, radioactive isotopes (atomic number, decomposition mode(s), half-life time).

Biochemistry. ChemToolBox also has a module related to Biochemistry: natural and synthetic amino acids (code, formula, molar mass, melting point, pKa, pKb, pKc, isoelectric point, solubility), nitrogen bases (formula, molar mass, pKa, solubility), carbohydrates (symbol, systematic name), fatty acids (systematic name, formula, molar mass, melting point, solubility), SDS-PAGE (separation domain, protein standards, stock solutions, resolving gels, stacking gels, stainning), genetic code.

Spectroscopy. This very useful module gives the 1H and 13C NMR chemical shifts of several thousands of organic molecules (from the scientific literature) classified by functionnal groups. Besides, it also contains IR spectroscopy data on charts of in a table of values.

Calculations. This is an essential module for your everyday life in the lab. It deals with SI units et derivatives (space/time, mecanical, temperature/heat, electromagnetism, molecular physics, radiations), constants (universal, electromagnetic, atomic/nuclear, physico-chemical, mathematical), useful calculations (amount of substance, concentration, volumic mass, dilution, massic/molar fraction, temperature/pressure) and units conversion (length, surface, volume, mass, temperature, pressure, energy, radioactivity).