ChemToolBox is a freeware desitinated to a broad audience (any level students, Ph.D. or even senior scientists). More precisely, it will be the ideal partner of chemists (organic chemistry, analytical chemistry or polymer chemistry), biologists and biochemists.
In its day-to-day use, ChemToolBox will be a precious help in various fields such as:
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, point 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.
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).
