Solubility
Solubility is the property of a solid, liquid or gaseous chemical substance called solute to dissolve in a solid, liquid or gaseous solvent. The solubility of a substance fundamentally depends on the physical and chemical properties of the solute and solvent as well as on temperature and presence of other chemicals of the solution; the extent of the solubility of a substance in a specific solvent is measured as the saturation concentration, where adding more solute does not increase the concentration of the solution and begins to precipitate the excess amount of solute. Insolubility is the inability to dissolve in a liquid or gaseous solvent. Most the solvent is a liquid, which can be a pure substance or a mixture. One may speak of solid solution, but of solution in a gas. Under certain conditions, the equilibrium solubility can be exceeded to give a so-called supersaturated solution, metastable. Metastability of crystals can lead to apparent differences in the amount of a chemical that dissolves depending on its crystalline form or particle size.
A supersaturated solution crystallises when'seed' crystals are introduced and rapid equilibration occurs. Phenylsalicylate is one such simple observable substance when melted and cooled below its fusion point. Solubility is not to be confused with the ability to'dissolve' a substance, because the solution might occur because of a chemical reaction. For example, zinc'dissolves' in hydrochloric acid as a result of a chemical reaction releasing hydrogen gas in a displacement reaction; the zinc ions are soluble in the acid. The solubility of a substance is an different property from the rate of solution, how fast it dissolves; the smaller a particle is, the faster it dissolves although there are many factors to add to this generalization. Crucially solubility applies to all areas of chemistry, inorganic, physical and biochemistry. In all cases it will depend on the physical conditions and the enthalpy and entropy directly relating to the solvents and solutes concerned. By far the most common solvent in chemistry is water, a solvent for most ionic compounds as well as a wide range of organic substances.
This is a crucial factor in much environmental and geochemical work. According to the IUPAC definition, solubility is the analytical composition of a saturated solution expressed as a proportion of a designated solute in a designated solvent. Solubility may be stated in various units of concentration such as molarity, mole fraction, mole ratio, mass per volume and other units; the extent of solubility ranges from infinitely soluble such as ethanol in water, to poorly soluble, such as silver chloride in water. The term insoluble is applied to poorly or poorly soluble compounds. A number of other descriptive terms are used to qualify the extent of solubility for a given application. For example, U. S. Pharmacopoeia gives the following terms: The thresholds to describe something as insoluble, or similar terms, may depend on the application. For example, one source states that substances are described as "insoluble" when their solubility is less than 0.1 g per 100 mL of solvent. Solubility occurs under dynamic equilibrium, which means that solubility results from the simultaneous and opposing processes of dissolution and phase joining.
The solubility equilibrium occurs. The term solubility is used in some fields where the solute is altered by solvolysis. For example, many metals and their oxides are said to be "soluble in hydrochloric acid", although in fact the aqueous acid irreversibly degrades the solid to give soluble products, it is true that most ionic solids are dissolved by polar solvents, but such processes are reversible. In those cases where the solute is not recovered upon evaporation of the solvent, the process is referred to as solvolysis; the thermodynamic concept of solubility does not apply straightforwardly to solvolysis. When a solute dissolves, it may form several species in the solution. For example, an aqueous suspension of ferrous hydroxide, Fe2, will contain the series + as well as other species. Furthermore, the solubility of ferrous hydroxide and the composition of its soluble components depend on pH. In general, solubility in the solvent phase can be given only for a specific solute, thermodynamically stable, the value of the solubility will include all the species in the solution.
Solubility is defined for specific phases. For example, the solubility of aragonite and calcite in water are expected to differ though they are both polymorphs of calcium carbonate and have the same chemical formula; the solubility of one substance in another is determined by the balance of intermolecular forces between the solvent and solute, the entropy change that accompanies the solvation. Factors such as temperature and pressure will alter this balance. Solubility may strongly depend on the presence of other species dissolved in the solvent, for example, complex-forming anions in liquids. Solubility will depend on the excess or deficiency of a common ion in the solution, a phenomenon known as the common-ion effect. To a lesser extent, solubility will depend on the ionic strength of solutions; the last two effects can be quantified using the equation for solubility equilibrium. For a solid that dissolves in a redox reaction, solubility is expe
Boiling point
The boiling point of a substance is the temperature at which the vapor pressure of a liquid equals the pressure surrounding the liquid and the liquid changes into a vapor. The boiling point of a liquid varies depending upon the surrounding environmental pressure. A liquid in a partial vacuum has a lower boiling point than when that liquid is at atmospheric pressure. A liquid at high pressure has a higher boiling point than when that liquid is at atmospheric pressure. For example, water at 93.4 °C at 1,905 metres altitude. For a given pressure, different liquids will boil at different temperatures; the normal boiling point of a liquid is the special case in which the vapor pressure of the liquid equals the defined atmospheric pressure at sea level, 1 atmosphere. At that temperature, the vapor pressure of the liquid becomes sufficient to overcome atmospheric pressure and allow bubbles of vapor to form inside the bulk of the liquid; the standard boiling point has been defined by IUPAC since 1982 as the temperature at which boiling occurs under a pressure of 1 bar.
The heat of vaporization is the energy required to transform a given quantity of a substance from a liquid into a gas at a given pressure. Liquids may change to a vapor at temperatures below their boiling points through the process of evaporation. Evaporation is a surface phenomenon in which molecules located near the liquid's edge, not contained by enough liquid pressure on that side, escape into the surroundings as vapor. On the other hand, boiling is a process in which molecules anywhere in the liquid escape, resulting in the formation of vapor bubbles within the liquid. A saturated liquid contains as much thermal energy. Saturation temperature means boiling point; the saturation temperature is the temperature for a corresponding saturation pressure at which a liquid boils into its vapor phase. The liquid can be said to be saturated with thermal energy. Any addition of thermal energy results in a phase transition. If the pressure in a system remains constant, a vapor at saturation temperature will begin to condense into its liquid phase as thermal energy is removed.
A liquid at saturation temperature and pressure will boil into its vapor phase as additional thermal energy is applied. The boiling point corresponds to the temperature at which the vapor pressure of the liquid equals the surrounding environmental pressure. Thus, the boiling point is dependent on the pressure. Boiling points may be published with respect to the NIST, USA standard pressure of 101.325 kPa, or the IUPAC standard pressure of 100.000 kPa. At higher elevations, where the atmospheric pressure is much lower, the boiling point is lower; the boiling point increases with increased pressure up to the critical point, where the gas and liquid properties become identical. The boiling point cannot be increased beyond the critical point; the boiling point decreases with decreasing pressure until the triple point is reached. The boiling point cannot be reduced below the triple point. If the heat of vaporization and the vapor pressure of a liquid at a certain temperature are known, the boiling point can be calculated by using the Clausius–Clapeyron equation, thus: T B = − 1, where: T B is the boiling point at the pressure of interest, R is the ideal gas constant, P is the vapour pressure of the liquid at the pressure of interest, P 0 is some pressure where the corresponding T 0 is known, Δ H vap is the heat of vaporization of the liquid, T 0 is the boiling temperature, ln is the natural logarithm.
Saturation pressure is the pressure for a corresponding saturation temperature at which a liquid boils into its vapor phase. Saturation pressure and saturation temperature have a direct relationship: as saturation pressure is increased, so is saturation temperature. If the temperature in a system remains constant, vapor at saturation pressure and temperature will begin to condense into its liquid phase as the system pressure is increased. A liquid at saturation pressure and temperature will tend to flash into its vapor phase as system pressure is decreased. There are two conventions regarding the standard boiling point of water: The normal boiling point is 99.97 °C at a pressure of 1 atm. The IUPAC recommended standard boiling point of water at a standard pressure of 100 kPa is 99.61 °C. For comparison, on top of Mount Everest, at 8,848 m elevation, the pressure is about 34 kPa and the boiling point of water is 71 °C; the Celsius temperature scale was defined until 1954 by two points: 0 °C being defined by the wate
Ether
Ethers are a class of organic compounds that contain an ether group—an oxygen atom connected to two alkyl or aryl groups. They have the general formula R -- O -- R ′, where R ′ represent the alkyl or aryl groups. Ethers can again be classified into two varieties: if the alkyl groups are the same on both sides of the oxygen atom it is a simple or symmetrical ether, whereas if they are different, the ethers are called mixed or unsymmetrical ethers. A typical example of the first group is the solvent and anesthetic diethyl ether referred to as "ether". Ethers are common in organic chemistry and more prevalent in biochemistry, as they are common linkages in carbohydrates and lignin. Ethers feature C–O–C linkage defined by a bond angle of about 110° and C–O distances of about 140 pm; the barrier to rotation about the C–O bonds is low. The bonding of oxygen in ethers and water is similar. In the language of valence bond theory, the hybridization at oxygen is sp3. Oxygen is more electronegative than carbon, thus the hydrogens alpha to ethers are more acidic than in simple hydrocarbons.
They are far less acidic than hydrogens alpha to carbonyl groups, however. Depending on the groups at R and R′, ethers are classified into two types:Simple ethers or symmetrical ethers. Mixed ethers or asymmetrical ethers. In the IUPAC nomenclature system, ethers are named using the general formula "alkoxyalkane", for example CH3–CH2–O–CH3 is methoxyethane. If the ether is part of a more-complex molecule, it is described as an alkoxy substituent, so –OCH3 would be considered a "methoxy-" group; the simpler alkyl radical is written in front, so CH3–O–CH2CH3 would be given as methoxyethane. IUPAC rules are not followed for simple ethers; the trivial names for simple ethers are a composite of the two substituents followed by "ether". For example, ethyl methyl ether, diphenylether; as for other organic compounds common ethers acquired names before rules for nomenclature were formalized. Diethyl ether is called "ether", but was once called sweet oil of vitriol. Methyl phenyl ether is anisole, because it was found in aniseed.
The aromatic ethers include furans. Acetals are another class of ethers with characteristic properties. Polyethers are compounds with more than one ether group; the crown ethers are examples of small polyethers. Some toxins produced by dinoflagellates such as brevetoxin and ciguatoxin are large and are known as cyclic or ladder polyethers. Polyether refers to polymers which contain the ether functional group in their main chain; the term glycol is reserved for low to medium range molar mass polymer when the nature of the end-group, a hydroxyl group, still matters. The term "oxide" or other terms are used for high molar mass polymer when end-groups no longer affect polymer properties; the phenyl ether polymers are a class of aromatic polyethers containing aromatic cycles in their main chain: Polyphenyl ether and Poly. Many classes of compounds with C–O–C linkages are not considered ethers: Esters, carboxylic acid anhydrides. Ether molecules cannot form hydrogen bonds with each other, resulting in low boiling points compared to those of the analogous alcohols.
The difference in the boiling points of the ethers and their isomeric alcohols becomes lower as the carbon chains become longer, as the van der Waals interactions of the extended carbon chain dominates over the presence of hydrogen bonding. Ethers are polar; the C–O–C bond angle in the functional group is about 110°, the C–O dipoles do not cancel out. Ethers are more polar than alkenes but not as polar as alcohols, esters, or amides of comparable structure; the presence of two lone pairs of electrons on the oxygen atoms makes hydrogen bonding with water molecules possible. Cyclic ethers such as tetrahydrofuran and 1,4-dioxane are miscible in water because of the more exposed oxygen atom for hydrogen bonding as compared to linear aliphatic ethers. Other properties are: The lower ethers are volatile and flammable. Lower ethers act as anaesthetics. Ethers are good organic solvents. Simple ethers are tasteless. Ethers are quite stable chemical compounds which do not react with bases, active metals, dilute acids, oxidising agents, reducing agents.
They are of low chemical reactivity, but they are more reactive than alkanes. Epoxides and acetals are unrepresentative classes of ethers and are discussed in separate articles. Important reactions are listed below. Although ethers resist hydrolysis, their polar bonds are cloven by mineral acids such as hydrobromic acid and hydroiodic acid. Hydrogen chloride cleaves ethers only slowly. Methyl ethers afford methyl halides: ROCH3 + HBr → CH3Br + ROHThese reactions proceed via onium intermediates, i.e. +Br−. Some ethers undergo rapid cleavage with boron tribromide to give the alkyl bromide. Depending on the substituents, some ethers can be cloven with a variety of reagents, e.g. strong base. When stored in the presence of air or oxygen, ethers tend to form explosive peroxides, such as diethyl ether peroxide; the reaction is accelerated by light, metal catalysts, aldehydes. In addition to avoiding storage conditions to form peroxides, it is recommended, when an ether is used as a solvent, not to distill it to dryness, as any peroxides that may have formed, being less volatil
European Chemicals Agency
The European Chemicals Agency is an agency of the European Union which manages the technical and administrative aspects of the implementation of the European Union regulation called Registration, Evaluation and Restriction of Chemicals. ECHA is the driving force among regulatory authorities in implementing the EU's chemicals legislation. ECHA helps companies to comply with the legislation, advances the safe use of chemicals, provides information on chemicals and addresses chemicals of concern, it is located in Finland. The agency headed by Executive Director Bjorn Hansen, started working on 1 June 2007; the REACH Regulation requires companies to provide information on the hazards and safe use of chemical substances that they manufacture or import. Companies register this information with ECHA and it is freely available on their website. So far, thousands of the most hazardous and the most used substances have been registered; the information is technical but gives detail on the impact of each chemical on people and the environment.
This gives European consumers the right to ask retailers whether the goods they buy contain dangerous substances. The Classification and Packaging Regulation introduces a globally harmonised system for classifying and labelling chemicals into the EU; this worldwide system makes it easier for workers and consumers to know the effects of chemicals and how to use products safely because the labels on products are now the same throughout the world. Companies need to notify ECHA of the labelling of their chemicals. So far, ECHA has received over 5 million notifications for more than 100 000 substances; the information is available on their website. Consumers can check chemicals in the products. Biocidal products include, for example, insect disinfectants used in hospitals; the Biocidal Products Regulation ensures that there is enough information about these products so that consumers can use them safely. ECHA is responsible for implementing the regulation; the law on Prior Informed Consent sets guidelines for the import of hazardous chemicals.
Through this mechanism, countries due to receive hazardous chemicals are informed in advance and have the possibility of rejecting their import. Substances that may have serious effects on human health and the environment are identified as Substances of Very High Concern 1; these are substances which cause cancer, mutation or are toxic to reproduction as well as substances which persist in the body or the environment and do not break down. Other substances considered. Companies manufacturing or importing articles containing these substances in a concentration above 0,1% weight of the article, have legal obligations, they are required to inform users about the presence of the substance and therefore how to use it safely. Consumers have the right to ask the retailer whether these substances are present in the products they buy. Once a substance has been identified in the EU as being of high concern, it will be added to a list; this list is available on ECHA's website and shows consumers and industry which chemicals are identified as SVHCs.
Substances placed on the Candidate List can move to another list. This means that, after a given date, companies will not be allowed to place the substance on the market or to use it, unless they have been given prior authorisation to do so by ECHA. One of the main aims of this listing process is to phase out SVHCs where possible. In its 2018 substance evaluation progress report, ECHA said chemical companies failed to provide “important safety information” in nearly three quarters of cases checked that year. "The numbers show a similar picture to previous years" the report said. The agency noted that member states need to develop risk management measures to control unsafe commercial use of chemicals in 71% of the substances checked. Executive Director Bjorn Hansen called non-compliance with REACH a "worry". Industry group CEFIC acknowledged the problem; the European Environmental Bureau called for faster enforcement to minimise chemical exposure. European Chemicals Bureau Official website
Pharmacokinetics
Pharmacokinetics, sometimes abbreviated as PK, is a branch of pharmacology dedicated to determine the fate of substances administered to a living organism. The substances of interest include any chemical xenobiotic such as: pharmaceutical drugs, food additives, etc, it attempts to analyze chemical metabolism and to discover the fate of a chemical from the moment that it is administered up to the point at which it is eliminated from the body. Pharmacokinetics is the study of how an organism affects a drug, whereas pharmacodynamics is the study of how the drug affects the organism. Both together influence dosing and adverse effects, as seen in PK/PD models. Pharmacokinetics describes how the body affects a specific xenobiotic/chemical after administration through the mechanisms of absorption and distribution, as well as the metabolic changes of the substance in the body, the effects and routes of excretion of the metabolites of the drug. Pharmacokinetic properties of chemicals are affected by the route of administration and the dose of administered drug.
These may affect the absorption rate. Models have been developed to simplify conceptualization of the many processes that take place in the interaction between an organism and a chemical substance. One of these, the multi-compartmental model, is the most used approximations to reality; the various compartments that the model is divided into are referred to as the ADME scheme: Liberation – the process of release of a drug from the pharmaceutical formulation. See IVIVC. Absorption – the process of a substance entering the blood circulation. Distribution – the dispersion or dissemination of substances throughout the fluids and tissues of the body. Metabolism – the recognition by the organism that a foreign substance is present and the irreversible transformation of parent compounds into daughter metabolites. Excretion – the removal of the substances from the body. In rare cases, some drugs irreversibly accumulate in body tissue; the two phases of metabolism and excretion can be grouped together under the title elimination.
The study of these distinct phases involves the use and manipulation of basic concepts in order to understand the process dynamics. For this reason in order to comprehend the kinetics of a drug it is necessary to have detailed knowledge of a number of factors such as: the properties of the substances that act as excipients, the characteristics of the appropriate biological membranes and the way that substances can cross them, or the characteristics of the enzyme reactions that inactivate the drug. All these concepts can be represented through mathematical formulas that have a corresponding graphical representation; the use of these models allows an understanding of the characteristics of a molecule, as well as how a particular drug will behave given information regarding some of its basic characteristics such as its acid dissociation constant and solubility, absorption capacity and distribution in the organism. The model outputs for a drug can be used in industry or in the clinical application of pharmacokinetic concepts.
Clinical pharmacokinetics provides many performance guidelines for effective and efficient use of drugs for human-health professionals and in veterinary medicine. The following are the most measured pharmacokinetic metrics: In pharmacokinetics, steady state refers to the situation where the overall intake of a drug is in dynamic equilibrium with its elimination. In practice, it is considered that steady state is reached when a time of 4 to 5 times the half-life for a drug after regular dosing is started; the following graph depicts a typical time course of drug plasma concentration and illustrates main pharmacokinetic metrics: Pharmacokinetic modelling is performed by noncompartmental or compartmental methods. Noncompartmental methods estimate the exposure to a drug by estimating the area under the curve of a concentration-time graph. Compartmental methods estimate the concentration-time graph using kinetic models. Noncompartmental methods are more versatile in that they do not assume any specific compartmental model and produce accurate results acceptable for bioequivalence studies.
The final outcome of the transformations that a drug undergoes in an organism and the rules that determine this fate depend on a number of interrelated factors. A number of functional models have been developed in order to simplify the study of pharmacokinetics; these models are based on a consideration of an organism as a number of related compartments. The simplest idea is to think of an organism as only one homogenous compartment; this monocompartmental model presupposes that blood plasma concentrations of the drug are a true reflection of the drug's concentration in other fluids or tissues and that the elimination of the drug is directly proportional to the drug's concentration in the organism. However, these models do not always reflect the real situation within an organism. For example, not all body tissues have the same blood supply, so the distribution of the drug will be slower in these tissues than in others with a better blood supply. In addition, there are some tissues (s
Space group
In mathematics and chemistry, a space group is the symmetry group of a configuration in space in three dimensions. In three dimensions, there are 230 if chiral copies are considered distinct. Space groups are studied in dimensions other than 3 where they are sometimes called Bieberbach groups, are discrete cocompact groups of isometries of an oriented Euclidean space. In crystallography, space groups are called the crystallographic or Fedorov groups, represent a description of the symmetry of the crystal. A definitive source regarding 3-dimensional space groups is the International Tables for Crystallography. Space groups in 2 dimensions are the 17 wallpaper groups which have been known for several centuries, though the proof that the list was complete was only given in 1891, after the much more difficult classification of space groups had been completed. In 1879 Leonhard Sohncke listed the 65 space groups. More he listed 66 groups, but Fedorov and Schönflies both noticed that two of them were the same.
The space groups in three dimensions were first enumerated by Fedorov, shortly afterwards were independently enumerated by Schönflies. The correct list of 230 space groups was found by 1892 during correspondence between Fedorov and Schönflies. Barlow enumerated the groups with a different method, but omitted four groups though he had the correct list of 230 groups from Fedorov and Schönflies. Burckhardt describes the history of the discovery of the space groups in detail; the space groups in three dimensions are made from combinations of the 32 crystallographic point groups with the 14 Bravais lattices, each of the latter belonging to one of 7 lattice systems. This results in a space group being some combination of the translational symmetry of a unit cell including lattice centering, the point group symmetry operations of reflection and improper rotation, the screw axis and glide plane symmetry operations; the combination of all these symmetry operations results in a total of 230 different space groups describing all possible crystal symmetries.
The elements of the space group fixing a point of space are the identity element, reflections and improper rotations. The translations form a normal abelian subgroup of rank 3, called the Bravais lattice. There are 14 possible types of Bravais lattice; the quotient of the space group by the Bravais lattice is a finite group, one of the 32 possible point groups. Translation is defined as the face moves from one point to another point. A glide plane is a reflection in a plane, followed by a translation parallel with that plane; this is noted depending on which axis the glide is along. There is the n glide, a glide along the half of a diagonal of a face, the d glide, a fourth of the way along either a face or space diagonal of the unit cell; the latter is called the diamond glide plane. In 17 space groups, due to the centering of the cell, the glides occur in two perpendicular directions i.e. the same glide plane can be called b or c, a or b, a or c. For example, group Abm2 could be called Acm2, group Ccca could be called Cccb.
In 1992, it was suggested to use symbol e for such planes. The symbols for five space groups have been modified: A screw axis is a rotation about an axis, followed by a translation along the direction of the axis; these are noted by a number, n, to describe the degree of rotation, where the number is how many operations must be applied to complete a full rotation. The degree of translation is added as a subscript showing how far along the axis the translation is, as a portion of the parallel lattice vector. So, 21 is a twofold rotation followed by a translation of 1/2 of the lattice vector; the general formula for the action of an element of a space group is y = M.x + D where M is its matrix, D is its vector, where the element transforms point x into point y. In general, D = D + D, where D is a unique function of M, zero for M being the identity; the matrices M form a point group, a basis of the space group. The lattice dimension can be less than the overall dimension, resulting in a "subperiodic" space group.
For:: One-dimensional line groups: Two-dimensional line groups: frieze groups: Wallpaper groups: Three-dimensional line groups. Some of these methods can assign several different names to the same space group, so altogether there are many thousands of different names. Number; the International Union of Crystallography publishes tables of all space group types, assigns each a unique number from 1 to 230. The numbering is arbitrary, except that groups with the same crystal system or point group are given consecutive numbers. International symbol or Hermann–Mauguin notation; the Hermann–Mauguin notation describes the lattice and some generators for the group. It has a shortened form called the international short symbol, the one most used in crystallography
Sylvite
Sylvite, or sylvine, is potassium chloride in natural mineral form. It forms crystals in the isometric system similar to normal rock salt, halite; the two are, in fact, isomorphous. Sylvite is red due to inclusions, it has a Mohs hardness of 2.5 and a specific gravity of 1.99. It has a refractive index of 1.4903. Sylvite has a salty taste with a distinct bitterness. Sylvite is one of the last evaporite minerals to precipitate out of solution; as such, it is only found in dry saline areas. Its principal use is as a potassium fertilizer. Sylvite is found in many evaporite deposits worldwide. Massive bedded deposits occur in New Mexico and western Texas, in Utah in the US, but the largest world source is in Saskatchewan, Canada; the vast deposits in Saskatchewan, Canada were formed by the evaporation of a Devonian seaway. Sylvite is the official mineral of Saskatchewan. Sylvite was first described in 1832 at Mt. Vesuvius near Napoli in Italy and named for the Dutch chemist, François Sylvius de le Boe. Sylvite, along with quartz and halite, is used for spectroscopic prisms and lenses.
Sylvinite Mineral Resources of Saskatchewan Chisholm, Hugh, ed.. "Sylvite". Encyclopædia Britannica. Cambridge University Press
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