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The data includes a two-dimensional structure diagram and a smiles string for each compound. eMolecules supports fast substructure searching based on parts of the molecular structure. ChemExper is a commercial data base for molecular data. The search results include a two-dimensional structure diagram and a mole file for many compounds.
SDF is one of a family of chemical-data file formats developed by MDL; it is intended especially for structural information. "SDF" stands for structure-data format, and SDF files actually wrap the molfile (MDL Molfile) format. Multiple records are delimited by lines consisting of four dollar signs ($$$$). A key feature of this format is its ...
Molar concentration or molarity is most commonly expressed in units of moles of solute per litre of solution. [1] For use in broader applications, it is defined as amount of substance of solute per unit volume of solution, or per unit volume available to the species, represented by lowercase c {\displaystyle c} : [ 2 ]
Change in volume with increasing ethanol fraction. The molar volume of a substance i is defined as its molar mass divided by its density ρ i 0: , = For an ideal mixture containing N components, the molar volume of the mixture is the weighted sum of the molar volumes of its individual components.
This page lists examples of the orders of magnitude of molar concentration. Source values are parenthesized where unit conversions were performed. M denotes the non-SI unit molar: 1 M = 1 mol/L = 10 −3 mol/m 3.
Array, a sequence of elements of the same type stored contiguously in memory; Record (also called a structure or struct), a collection of fields . Product type (also called a tuple), a record in which the fields are not named
The apparent molar volume of salt is usually less than the molar volume of the solid salt. For instance, solid NaCl has a volume of 27 cm 3 per mole, but the apparent molar volume at low concentrations is only 16.6 cc/mole. In fact, some aqueous electrolytes have negative apparent molar volumes: NaOH −6.7, LiOH −6.0, and Na 2 CO 3 −6.7 cm ...
Structure and properties Index of refraction, [1] n D: 1.4795 at 20 °C 1.4787 at 21 °C Abbe number? Dielectric constant, [2] ε r: 48 ε 0 at 20 °C Bond strength? Bond length? Bond angle? Magnetic susceptibility? Surface tension [2] 43 dyn/cm at 20 °C Viscosity: 2.14 mPa·s [2] at 20 °C 1.1 mPa·s [1] at 27 °C