1.
ChemSpider
–
ChemSpider is a database of chemicals. ChemSpider is owned by the Royal Society of Chemistry, the database contains information on more than 50 million molecules from over 500 data sources including, Each chemical is given a unique identifier, which forms part of a corresponding URL. This is an approach to develop an online chemistry database. The search can be used to widen or restrict already found results, structure searching on mobile devices can be done using free apps for iOS and for the Android. The ChemSpider database has been used in combination with text mining as the basis of document markup. The result is a system between chemistry documents and information look-up via ChemSpider into over 150 data sources. ChemSpider was acquired by the Royal Society of Chemistry in May,2009, prior to the acquisition by RSC, ChemSpider was controlled by a private corporation, ChemZoo Inc. The system was first launched in March 2007 in a release form. ChemSpider has expanded the generic support of a database to include support of the Wikipedia chemical structure collection via their WiChempedia implementation. A number of services are available online. SyntheticPages is an interactive database of synthetic chemistry procedures operated by the Royal Society of Chemistry. Users submit synthetic procedures which they have conducted themselves for publication on the site and these procedures may be original works, but they are more often based on literature reactions. Citations to the published procedure are made where appropriate. They are checked by an editor before posting. The pages do not undergo formal peer-review like a journal article. The comments are moderated by scientific editors. The intention is to collect practical experience of how to conduct useful chemical synthesis in the lab, while experimental methods published in an ordinary academic journal are listed formally and concisely, the procedures in ChemSpider SyntheticPages are given with more practical detail. Comments by submitters are included as well, other publications with comparable amounts of detail include Organic Syntheses and Inorganic Syntheses
ChemSpider
–
ChemSpider
2.
E number
–
E numbers are codes for substances that are permitted to be used as food additives for use within the European Union and Switzerland. Commonly found on labels, their safety assessment and approval are the responsibility of the European Food Safety Authority. Having a single unified list for food additives was first agreed upon in 1962 with food colouring, in 1964, the directives for preservatives were added,1970 for antioxidants and 1974 for the emulsifiers, stabilisers, thickeners and gelling agents. They are increasingly, though rarely, found on North American packaging. In some European countries, E number is used informally as a pejorative term for artificial food additives. This is incorrect, because many components of foods have E numbers, e. g. vitamin C. NB, Not all examples of a fall into the given numeric range. Moreover, many chemicals, particularly in the E400–499 range, have a variety of purposes, the list shows all components that have or had an E-number assigned. Not all additives listed are still allowed in the EU, but are listed as they used to have an E-number, for an overview of currently allowed additives see here. Includes Lists of authorised food additives Food additives database
E number
–
A solution of E101
riboflavin (also known as vitamin B2)
E number
–
Crystals of E621
Monosodium glutamate, a flavour enhancer
3.
PubChem
–
PubChem is a database of chemical molecules and their activities against biological assays. The system is maintained by the National Center for Biotechnology Information, a component of the National Library of Medicine, PubChem can be accessed for free through a web user interface. Millions of compound structures and descriptive datasets can be downloaded via FTP. PubChem contains substance descriptions and small molecules with fewer than 1000 atoms and 1000 bonds, more than 80 database vendors contribute to the growing PubChem database. PubChem consists of three dynamically growing primary databases, as of 28 January 2016, Compounds,82.6 million entries, contains pure and characterized chemical compounds. Substances,198 million entries, contains also mixtures, extracts, complexes, bioAssay, bioactivity results from 1.1 million high-throughput screening programs with several million values. PubChem contains its own online molecule editor with SMILES/SMARTS and InChI support that allows the import and export of all common chemical file formats to search for structures and fragments. In the text search form the database fields can be searched by adding the name in square brackets to the search term. A numeric range is represented by two separated by a colon. The search terms and field names are case-insensitive, parentheses and the logical operators AND, OR, and NOT can be used. AND is assumed if no operator is used, example,0,5000,50,10 -5,5 PubChem was released in 2004. The American Chemical Society has raised concerns about the publicly supported PubChem database and they have a strong interest in the issue since the Chemical Abstracts Service generates a large percentage of the societys revenue. To advocate their position against the PubChem database, ACS has actively lobbied the US Congress, soon after PubChems creation, the American Chemical Society lobbied U. S. Congress to restrict the operation of PubChem, which they asserted competes with their Chemical Abstracts Service
PubChem
–
PubChem
4.
International Chemical Identifier
–
Initially developed by IUPAC and NIST from 2000 to 2005, the format and algorithms are non-proprietary. The continuing development of the standard has supported since 2010 by the not-for-profit InChI Trust. The current version is 1.04 and was released in September 2011, prior to 1.04, the software was freely available under the open source LGPL license, but it now uses a custom license called IUPAC-InChI Trust License. Not all layers have to be provided, for instance, the layer can be omitted if that type of information is not relevant to the particular application. InChIs can thus be seen as akin to a general and extremely formalized version of IUPAC names and they can express more information than the simpler SMILES notation and differ in that every structure has a unique InChI string, which is important in database applications. Information about the 3-dimensional coordinates of atoms is not represented in InChI, the InChI algorithm converts input structural information into a unique InChI identifier in a three-step process, normalization, canonicalization, and serialization. The InChIKey, sometimes referred to as a hashed InChI, is a fixed length condensed digital representation of the InChI that is not human-understandable. The InChIKey specification was released in September 2007 in order to facilitate web searches for chemical compounds and it should be noted that, unlike the InChI, the InChIKey is not unique, though collisions can be calculated to be very rare, they happen. In January 2009 the final 1.02 version of the InChI software was released and this provided a means to generate so called standard InChI, which does not allow for user selectable options in dealing with the stereochemistry and tautomeric layers of the InChI string. The standard InChIKey is then the hashed version of the standard InChI string, the standard InChI will simplify comparison of InChI strings and keys generated by different groups, and subsequently accessed via diverse sources such as databases and web resources. Every InChI starts with the string InChI= followed by the version number and this is followed by the letter S for standard InChIs. The remaining information is structured as a sequence of layers and sub-layers, the layers and sub-layers are separated by the delimiter / and start with a characteristic prefix letter. The six layers with important sublayers are, Main layer Chemical formula and this is the only sublayer that must occur in every InChI. The atoms in the formula are numbered in sequence, this sublayer describes which atoms are connected by bonds to which other ones. Describes how many hydrogen atoms are connected to each of the other atoms, the condensed,27 character standard InChIKey is a hashed version of the full standard InChI, designed to allow for easy web searches of chemical compounds. Most chemical structures on the Web up to 2007 have been represented as GIF files, the full InChI turned out to be too lengthy for easy searching, and therefore the InChIKey was developed. With all databases currently having below 50 million structures, such duplication appears unlikely at present, a recent study more extensively studies the collision rate finding that the experimental collision rate is in agreement with the theoretical expectations. Example, Morphine has the structure shown on the right, as the InChI cannot be reconstructed from the InChIKey, an InChIKey always needs to be linked to the original InChI to get back to the original structure
International Chemical Identifier
–
L -
ascorbic acid
5.
Simplified molecular-input line-entry system
–
The simplified molecular-input line-entry system is a specification in form of a line notation for describing the structure of chemical species using short ASCII strings. SMILES strings can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the molecules, the original SMILES specification was initiated in the 1980s. It has since modified and extended. In 2007, a standard called OpenSMILES was developed in the open-source chemistry community. Other linear notations include the Wiswesser Line Notation, ROSDAL and SLN, the original SMILES specification was initiated by David Weininger at the USEPA Mid-Continent Ecology Division Laboratory in Duluth in the 1980s. The Environmental Protection Agency funded the project to develop SMILES. It has since modified and extended by others, most notably by Daylight Chemical Information Systems. In 2007, a standard called OpenSMILES was developed by the Blue Obelisk open-source chemistry community. Other linear notations include the Wiswesser Line Notation, ROSDAL and SLN, in July 2006, the IUPAC introduced the InChI as a standard for formula representation. SMILES is generally considered to have the advantage of being slightly more human-readable than InChI, the term SMILES refers to a line notation for encoding molecular structures and specific instances should strictly be called SMILES strings. However, the term SMILES is also used to refer to both a single SMILES string and a number of SMILES strings, the exact meaning is usually apparent from the context. The terms canonical and isomeric can lead to confusion when applied to SMILES. The terms describe different attributes of SMILES strings and are not mutually exclusive, typically, a number of equally valid SMILES strings can be written for a molecule. For example, CCO, OCC and CC all specify the structure of ethanol, algorithms have been developed to generate the same SMILES string for a given molecule, of the many possible strings, these algorithms choose only one of them. This SMILES is unique for each structure, although dependent on the algorithm used to generate it. These algorithms first convert the SMILES to a representation of the molecular structure. A common application of canonical SMILES is indexing and ensuring uniqueness of molecules in a database, there is currently no systematic comparison across commercial software to test if such flaws exist in those packages. SMILES notation allows the specification of configuration at tetrahedral centers, and these are structural features that cannot be specified by connectivity alone and SMILES which encode this information are termed isomeric SMILES
Simplified molecular-input line-entry system
–
Generation of SMILES: Break cycles, then write as branches off a main backbone. (Ciprofloxacin)
6.
Chemical formula
–
These are limited to a single typographic line of symbols, which may include subscripts and superscripts. A chemical formula is not a name, and it contains no words. Although a chemical formula may imply certain simple chemical structures, it is not the same as a full chemical structural formula. Chemical formulas can fully specify the structure of only the simplest of molecules and chemical substances, the simplest types of chemical formulas are called empirical formulas, which use letters and numbers indicating the numerical proportions of atoms of each type. Molecular formulas indicate the numbers of each type of atom in a molecule. For example, the formula for glucose is CH2O, while its molecular formula is C6H12O6. This is possible if the relevant bonding is easy to show in one dimension, an example is the condensed molecular/chemical formula for ethanol, which is CH3-CH2-OH or CH3CH2OH. For reasons of structural complexity, there is no condensed chemical formula that specifies glucose, chemical formulas may be used in chemical equations to describe chemical reactions and other chemical transformations, such as the dissolving of ionic compounds into solution. A chemical formula identifies each constituent element by its chemical symbol, in empirical formulas, these proportions begin with a key element and then assign numbers of atoms of the other elements in the compound, as ratios to the key element. For molecular compounds, these numbers can all be expressed as whole numbers. For example, the formula of ethanol may be written C2H6O because the molecules of ethanol all contain two carbon atoms, six hydrogen atoms, and one oxygen atom. Some types of compounds, however, cannot be written with entirely whole-number empirical formulas. An example is boron carbide, whose formula of CBn is a variable non-whole number ratio with n ranging from over 4 to more than 6.5. When the chemical compound of the consists of simple molecules. These types of formulas are known as molecular formulas and condensed formulas. A molecular formula enumerates the number of atoms to reflect those in the molecule, so that the formula for glucose is C6H12O6 rather than the glucose empirical formula. However, except for very simple substances, molecular chemical formulas lack needed structural information, for simple molecules, a condensed formula is a type of chemical formula that may fully imply a correct structural formula. For example, ethanol may be represented by the chemical formula CH3CH2OH
Chemical formula
–
Al 2 (SO 4) 3
7.
Odor
–
An odor or odour or fragrance is caused by one or more volatilized chemical compounds, generally at a very low concentration, that humans or other animals perceive by the sense of olfaction. Odors are also commonly called scents, which can refer to both pleasant and unpleasant odors, the terms fragrance and aroma are used primarily by the food and cosmetic industry to describe a pleasant odor, and are sometimes used to refer to perfumes, and to describe floral scent. In contrast, malodor, stench, reek, and stink are used specifically to describe unpleasant odor, the term smell is used for both pleasant and unpleasant odors. In the United Kingdom, odour refers to scents in general, the sense of smell gives rise to the perception of odors, mediated by the olfactory nerve. The olfactory receptor cells are present in the olfactory epithelium. There are millions of olfactory receptor neurons that act as sensory signaling cells, each neuron has cilia in direct contact with air. The olfactory nerve is considered the smell mediator, the axon connects the brain to the external air, odorous molecules act as a chemical stimulus. Molecules bind to receptor proteins extended from cilia, initiating an electric signal, thus, by using a chemical that binds to copper in the mouse nose, so that copper wasn’t available to the receptors, the authors showed that the mice couldnt detect the thiols. However, these also found that MOR244-3 lacks the specific metal ion binding site suggested by Suslick. When the signal reaches a threshold, the fires, sending a signal traveling along the axon to the olfactory bulb. Interpretation of the begins, relating the smell to past experiences. The olfactory bulb acts as a station connecting the nose to the olfactory cortex in the brain. Olfactory information is processed and projected through a pathway to the central nervous system. Odor sensation usually depends on the concentration available to the olfactory receptors, the olfactory system does not interpret a single compound, but instead the whole odorous mix, not necessarily corresponding to concentration or intensity of any single constituent. The widest range of odors consists of compounds, although some simple compounds not containing carbon, such as hydrogen sulfide. The perception of an effect is a two-step process. First, there is the part, the detection of stimuli by receptors in the nose. The stimuli are processed by the region of the brain which is responsible for olfaction
Odor
–
"Smell", from Allegory of the senses by
Jan Brueghel the Elder,
Museo del Prado
Odor
–
Odor control covers at a
sewage treatment plant: Under these covers, grit and gravel are settled out of the wastewater.
8.
Density
–
The density, or more precisely, the volumetric mass density, of a substance is its mass per unit volume. The symbol most often used for density is ρ, although the Latin letter D can also be used. Mathematically, density is defined as mass divided by volume, ρ = m V, where ρ is the density, m is the mass, and V is the volume. In some cases, density is defined as its weight per unit volume. For a pure substance the density has the numerical value as its mass concentration. Different materials usually have different densities, and density may be relevant to buoyancy, purity, osmium and iridium are the densest known elements at standard conditions for temperature and pressure but certain chemical compounds may be denser. Thus a relative density less than one means that the floats in water. The density of a material varies with temperature and pressure and this variation is typically small for solids and liquids but much greater for gases. Increasing the pressure on an object decreases the volume of the object, increasing the temperature of a substance decreases its density by increasing its volume. In most materials, heating the bottom of a results in convection of the heat from the bottom to the top. This causes it to rise relative to more dense unheated material, the reciprocal of the density of a substance is occasionally called its specific volume, a term sometimes used in thermodynamics. Density is a property in that increasing the amount of a substance does not increase its density. Archimedes knew that the irregularly shaped wreath could be crushed into a cube whose volume could be calculated easily and compared with the mass, upon this discovery, he leapt from his bath and ran naked through the streets shouting, Eureka. As a result, the term eureka entered common parlance and is used today to indicate a moment of enlightenment, the story first appeared in written form in Vitruvius books of architecture, two centuries after it supposedly took place. Some scholars have doubted the accuracy of this tale, saying among other things that the method would have required precise measurements that would have been difficult to make at the time, from the equation for density, mass density has units of mass divided by volume. As there are units of mass and volume covering many different magnitudes there are a large number of units for mass density in use. The SI unit of kilogram per metre and the cgs unit of gram per cubic centimetre are probably the most commonly used units for density.1,000 kg/m3 equals 1 g/cm3. In industry, other larger or smaller units of mass and or volume are often more practical, see below for a list of some of the most common units of density
Density
–
Air density vs. temperature
9.
Melting point
–
The melting point of a solid is the temperature at which it changes state from solid to liquid at atmospheric pressure. At the melting point the solid and liquid phase exist in equilibrium, the melting point of a substance depends on pressure and is usually specified at standard pressure. When considered as the temperature of the change from liquid to solid. Because of the ability of some substances to supercool, the point is not considered as a characteristic property of a substance. For most substances, melting and freezing points are approximately equal, for example, the melting point and freezing point of mercury is 234.32 kelvins. However, certain substances possess differing solid-liquid transition temperatures, for example, agar melts at 85 °C and solidifies from 31 °C to 40 °C, such direction dependence is known as hysteresis. The melting point of ice at 1 atmosphere of pressure is close to 0 °C. In the presence of nucleating substances the freezing point of water is the same as the melting point, the chemical element with the highest melting point is tungsten, at 3687 K, this property makes tungsten excellent for use as filaments in light bulbs. Many laboratory techniques exist for the determination of melting points, a Kofler bench is a metal strip with a temperature gradient. Any substance can be placed on a section of the strip revealing its thermal behaviour at the temperature at that point, differential scanning calorimetry gives information on melting point together with its enthalpy of fusion. A basic melting point apparatus for the analysis of crystalline solids consists of an oil bath with a transparent window, the several grains of a solid are placed in a thin glass tube and partially immersed in the oil bath. The oil bath is heated and with the aid of the melting of the individual crystals at a certain temperature can be observed. In large/small devices, the sample is placed in a heating block, the measurement can also be made continuously with an operating process. For instance, oil refineries measure the point of diesel fuel online, meaning that the sample is taken from the process. This allows for more frequent measurements as the sample does not have to be manually collected, for refractory materials the extremely high melting point may be determined by heating the material in a black body furnace and measuring the black-body temperature with an optical pyrometer. For the highest melting materials, this may require extrapolation by several hundred degrees, the spectral radiance from an incandescent body is known to be a function of its temperature. An optical pyrometer matches the radiance of a body under study to the radiance of a source that has been previously calibrated as a function of temperature, in this way, the measurement of the absolute magnitude of the intensity of radiation is unnecessary. However, known temperatures must be used to determine the calibration of the pyrometer, for temperatures above the calibration range of the source, an extrapolation technique must be employed
Melting point
–
Melting points (in blue) and boiling points (in pink) of the first eight
carboxylic acids (°C)
Melting point
–
Kofler bench with samples for calibration
Melting point
–
Automatic digital melting point meter
Melting point
–
Pressure dependence of water melting point
10.
Boiling point
–
The boiling point of a substance is the temperature at which the vapor pressure of the liquid equals the pressure surrounding the liquid and the liquid changes into a vapor. The boiling point of a liquid varies depending upon the environmental pressure. A liquid in a vacuum has a lower boiling point than when that liquid is at atmospheric pressure. A liquid at high pressure has a boiling point than when that liquid is at atmospheric pressure. For a given pressure, different liquids boil at different temperatures, for example, water boils at 100 °C at sea level, but at 93.4 °C at 2,000 metres altitude. The normal boiling point of a liquid is the case in which the vapor pressure of the liquid equals the defined atmospheric pressure at sea level,1 atmosphere. At that temperature, the pressure of the liquid becomes sufficient to overcome atmospheric pressure. 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 liquids 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, a saturated liquid contains as much thermal energy as it can without boiling. 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 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, similarly, 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 pressure of the liquid equals the surrounding environmental pressure. Thus, the point is dependent on the pressure. Boiling points may be published with respect to the NIST, USA standard pressure of 101.325 kPa, at higher elevations, where the atmospheric pressure is much lower, the boiling point is also lower. The boiling point increases with increased pressure up to the critical point, the boiling point cannot be increased beyond the critical point. Likewise, the point decreases with decreasing pressure until the triple point is reached
Boiling point
–
Boiling water
11.
Aqueous solution
–
An aqueous solution is a solution in which the solvent is water. It is usually shown in chemical equations by appending to the relevant chemical formula, for example, a solution of table salt, or sodium chloride, in water would be represented as Na+ + Cl−. The word aqueous means pertaining to, related to, similar to, as water is an excellent solvent and is also naturally abundant, it is a ubiquitous solvent in chemistry. Substances that are hydrophobic often do not dissolve well in water, an example of a hydrophilic substance is sodium chloride. Acids and bases are aqueous solutions, as part of their Arrhenius definitions, the ability of a substance to dissolve in water is determined by whether the substance can match or exceed the strong attractive forces that water molecules generate between themselves. If the substance lacks the ability to dissolve in water the molecules form a precipitate, reactions in aqueous solutions are usually metathesis reactions. Metathesis reactions are another term for double-displacement, that is, when a cation displaces to form a bond with the other anion. The cation bonded with the latter anion will dissociate and bond with the other anion, aqueous solutions that conduct electric current efficiently contain strong electrolytes, while ones that conduct poorly are considered to have weak electrolytes. Those strong electrolytes are substances that are ionized in water. Nonelectrolytes are substances that dissolve in water yet maintain their molecular integrity, examples include sugar, urea, glycerol, and methylsulfonylmethane. When writing the equations of reactions, it is essential to determine the precipitate. To determine the precipitate, one must consult a chart of solubility, soluble compounds are aqueous, while insoluble compounds are the precipitate. Remember that there may not always be a precipitate, when performing calculations regarding the reacting of one or more aqueous solutions, in general one must know the concentration, or molarity, of the aqueous solutions. Solution concentration is given in terms of the form of the prior to it dissolving. Metal ions in aqueous solution Solubility Dissociation Acid-base reaction theories Properties of water Zumdahl S.1997, 4th ed. Boston, Houghton Mifflin Company
Aqueous solution
–
The first
solvation shell of a sodium ion dissolved in water.
12.
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 depends on the physical and chemical properties of the solute and solvent as well as on temperature, pressure. The solubility of a substance is a different property from the rate of solution. Most often, the solvent is a liquid, which can be a substance or a mixture. One may also speak of solid solution, but rarely of solution in a gas, the extent of solubility ranges widely, from infinitely soluble such as ethanol in water, to poorly soluble, such as silver chloride in water. The term insoluble is often applied to poorly or very poorly soluble compounds, a common threshold to describe something as insoluble is less than 0.1 g per 100 mL of solvent. Under certain conditions, the solubility can be exceeded to give a so-called supersaturated solution. Metastability of crystals can also lead to apparent differences in the amount of a chemical that dissolves depending on its form or particle size. A supersaturated solution generally crystallises when seed crystals are introduced and rapid equilibration occurs, phenylsalicylate is one such simple observable substance when fully melted and then cooled below its fusion point. Solubility is not to be confused with the ability to dissolve a substance, 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 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, geochemistry, inorganic, physical, organic, 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 which is a solvent for most ionic compounds as well as a range of organic substances. This is a factor in acidity/alkalinity and much environmental and geochemical work. According to the IUPAC definition, solubility is the composition of a saturated solution expressed as a proportion of a designated solute in a designated solvent. Solubility may be stated in units of concentration such as molarity, molality, mole fraction, mole ratio, mass per volume. Solubility occurs under dynamic equilibrium, which means that solubility results from the simultaneous and opposing processes of dissolution, the solubility equilibrium occurs when the two processes proceed at a constant rate. The term solubility is used in some fields where the solute is altered by solvolysis
Solubility
–
Diving medicine:
Solubility
–
"Soluble" redirects here. For the algebraic object called a "soluble group", see
Solvable group.
13.
Ethanol
–
Ethanol, also called alcohol, ethyl alcohol, and drinking alcohol, is the principal type of alcohol found in alcoholic beverages. It is a volatile, flammable, colorless liquid with a characteristic odor. Its chemical formula is C 2H 6O, which can be written also as CH 3-CH 2-OH or C 2H 5-OH, ethanol is mostly produced by the fermentation of sugars by yeasts, or by petrochemical processes. It is a psychoactive drug, causing a characteristic intoxication. It is widely used as a solvent, as fuel, and as a feedstock for synthesis of other chemicals, the eth- prefix and the qualifier ethyl in ethyl alcohol originally come from the name ethyl assigned in 1834 to the group C 2H 5- by Justus Liebig. He coined the word from the German name Aether of the compound C 2H 5-O-C 2H5, according to the Oxford English Dictionary, Ethyl is a contraction of the Ancient Greek αἰθήρ and the Greek word ύλη. The name ethanol was coined as a result of a resolution that was adopted at the International Conference on Chemical Nomenclature that was held in April 1892 in Geneva, Switzerland. The term alcohol now refers to a class of substances in chemistry nomenclature. The Oxford English Dictionary claims that it is a loan from Arabic al-kuḥl, a powdered ore of antimony used since aniquity as a cosmetic. The use of alcohol for ethanol is modern, first recorded 1753, the systematic use in chemistry dates to 1850. Ethanol is used in medical wipes and most common antibacterial hand sanitizer gels as an antiseptic, ethanol kills organisms by denaturing their proteins and dissolving their lipids and is effective against most bacteria and fungi, and many viruses. However, ethanol is ineffective against bacterial spores, ethanol may be administered as an antidote to methanol and ethylene glycol poisoning. Ethanol, often in high concentrations, is used to dissolve many water-insoluble medications, as a central nervous system depressant, ethanol is one of the most commonly consumed psychoactive drugs. The amount of ethanol in the body is typically quantified by blood alcohol content, small doses of ethanol, in general, produce euphoria and relaxation, people experiencing these symptoms tend to become talkative and less inhibited, and may exhibit poor judgment. Ethanol is commonly consumed as a drug, especially while socializing. The largest single use of ethanol is as a fuel and fuel additive. Brazil in particular relies heavily upon the use of ethanol as an engine fuel, gasoline sold in Brazil contains at least 25% anhydrous ethanol. Hydrous ethanol can be used as fuel in more than 90% of new gasoline fueled cars sold in the country, Brazilian ethanol is produced from sugar cane and noted for high carbon sequestration
Ethanol
–
USP grade ethanol for laboratory use.
Ethanol
–
Ethanol pump station in
São Paulo, Brazil
Ethanol
–
A
Ford Taurus fueled by ethanol in
New York City
Ethanol
–
USPS truck running on
E85 in
Minnesota
14.
Glycerol
–
Glycerol /ˈɡlɪsərɒl/ is a simple polyol compound. It is a colorless, odorless, viscous liquid that is sweet-tasting, the glycerol backbone is found in all lipids known as triglycerides. It is widely used in the industry as a sweetener and humectant. Glycerol has three groups that are responsible for its solubility in water and its hygroscopic nature. Although achiral, glycerol is prochiral with respect to reactions of one of the two primary alcohols, thus, in substituted derivatives, the stereospecific numbering labels each carbon as either sn-1, sn-2, or sn-3. Glycerol is generally obtained from plant and animal sources where it occurs as triglycerides, triglycerides are esters of glycerol with long-chain carboxylic acids. Approximately 950,000 tons per year are produced in the United States and it was projected in 2006 that by the year 2020, production would be six times more than demand. Glycerol from triglycerides is produced on a scale, but the crude product is of variable quality. It can be purified, but the process is expensive, some glycerol is burned for energy, but its heat value is low. High purity glycerol is obtained by distillation, vacuum is helpful due to the high boiling point of glycerol. Although usually not cost-effective, glycerol can be produced by various routes from propylene and this epichlorohydrin is then hydrolyzed to give glycerol. Chlorine-free processes from propylene include the synthesis of glycerol from acrolein, because of the large-scale production of biodiesel from fats, where glycerol is a waste product, the market for glycerol is depressed. Thus, synthetic processes are not economical, owing to oversupply, efforts are being made to convert glycerol to synthetic precursors, such as acrolein and epichlorohydrin. In food and beverages, glycerol serves as a humectant, solvent, and sweetener and it is also used as filler in commercially prepared low-fat foods, and as a thickening agent in liqueurs. Glycerol and water are used to preserve certain types of plant leaves, as a sugar substitute, it has approximately 27 kilocalories per teaspoon and is 60% as sweet as sucrose. It does not feed the bacteria that form plaques and cause dental cavities, as a food additive, glycerol is labeled as E number E422. It is added to icing to prevent it from setting too hard, as used in foods, glycerol is categorized by the Academy of Nutrition and Dietetics as a carbohydrate. The U. S. Food and Drug Administration carbohydrate designation includes all caloric macronutrients excluding protein, glycerol is used in medical, pharmaceutical and personal care preparations, mainly as a means of improving smoothness, providing lubrication, and as a humectant
Glycerol
Glycerol
–
Glycerol
Glycerol
–
Glycerol suppositories used as laxatives
15.
Acid dissociation constant
–
An acid dissociation constant, Ka, is a quantitative measure of the strength of an acid in solution. It is the constant for a chemical reaction known as dissociation in the context of acid–base reactions. In the example shown in the figure, HA represents acetic acid, and A− represents the acetate ion, the chemical species HA, A− and H3O+ are said to be in equilibrium when their concentrations do not change with the passing of time. The definition can then be more simply H A ⇌ A − + H +, K a = This is the definition in common usage. A weak acid has a pKa value in the approximate range −2 to 12 in water, pKa values for strong acids can, however, be estimated by theoretical means. The definition can be extended to non-aqueous solvents, such as acetonitrile and dimethylsulfoxide. Denoting a solvent molecule by S H A + S ⇌ A − + S H +, K a = When the concentration of solvent molecules can be taken to be constant, K a =, as before. The value of pKa also depends on structure of the acid in many ways. For example, Pauling proposed two rules, one for successive pKa of polyprotic acids, and one to estimate the pKa of oxyacids based on the number of =O and −OH groups. Other structural factors that influence the magnitude of the dissociation constant include inductive effects, mesomeric effects. Hammett type equations have frequently applied to the estimation of pKa. The quantitative behaviour of acids and bases in solution can be only if their pKa values are known. These calculations find application in different areas of chemistry, biology, medicine. Acid dissociation constants are essential in aquatic chemistry and chemical oceanography. In living organisms, acid–base homeostasis and enzyme kinetics are dependent on the pKa values of the acids and bases present in the cell. According to Arrheniuss original definition, an acid is a substance that dissociates in solution, releasing the hydrogen ion H+. The equilibrium constant for this reaction is known as a dissociation constant. Brønsted and Lowry generalised this further to an exchange reaction
Acid dissociation constant
16.
Refractive index
–
In optics, the refractive index or index of refraction n of a material is a dimensionless number that describes how light propagates through that medium. It is defined as n = c v, where c is the speed of light in vacuum, for example, the refractive index of water is 1.333, meaning that light travels 1.333 times faster in a vacuum than it does in water. The refractive index determines how light is bent, or refracted. The refractive indices also determine the amount of light that is reflected when reaching the interface, as well as the angle for total internal reflection. This implies that vacuum has a index of 1. The refractive index varies with the wavelength of light and this is called dispersion and causes the splitting of white light into its constituent colors in prisms and rainbows, and chromatic aberration in lenses. Light propagation in absorbing materials can be described using a refractive index. The imaginary part then handles the attenuation, while the real part accounts for refraction, the concept of refractive index is widely used within the full electromagnetic spectrum, from X-rays to radio waves. It can also be used with wave phenomena such as sound, in this case the speed of sound is used instead of that of light and a reference medium other than vacuum must be chosen. Thomas Young was presumably the person who first used, and invented, at the same time he changed this value of refractive power into a single number, instead of the traditional ratio of two numbers. The ratio had the disadvantage of different appearances, newton, who called it the proportion of the sines of incidence and refraction, wrote it as a ratio of two numbers, like 529 to 396. Hauksbee, who called it the ratio of refraction, wrote it as a ratio with a fixed numerator, hutton wrote it as a ratio with a fixed denominator, like 1.3358 to 1. Young did not use a symbol for the index of refraction, in the next years, others started using different symbols, n, m, and µ. For visible light most transparent media have refractive indices between 1 and 2, a few examples are given in the adjacent table. These values are measured at the yellow doublet D-line of sodium, with a wavelength of 589 nanometers, gases at atmospheric pressure have refractive indices close to 1 because of their low density. Almost all solids and liquids have refractive indices above 1.3, aerogel is a very low density solid that can be produced with refractive index in the range from 1.002 to 1.265. Moissanite lies at the end of the range with a refractive index as high as 2.65. Most plastics have refractive indices in the range from 1.3 to 1.7, for infrared light refractive indices can be considerably higher
Refractive index
–
Thomas Young coined the term index of refraction.
Refractive index
–
A
ray of light being
refracted in a plastic block.
Refractive index
–
Diamonds have a very high refractive index of 2.42.
Refractive index
–
A
split-ring resonator array arranged to produce a negative index of refraction for
microwaves.
17.
Crystal structure
–
In crystallography, crystal structure is a description of the ordered arrangement of atoms, ions or molecules in a crystalline material. Ordered structures occur from the nature of the constituent particles to form symmetric patterns that repeat along the principal directions of three-dimensional space in matter. The smallest group of particles in the material that constitutes the pattern is the unit cell of the structure. The unit cell completely defines the symmetry and structure of the crystal lattice. The repeating patterns are said to be located at the points of the Bravais lattice, the lengths of the principal axes, or edges, of the unit cell and the angles between them are the lattice constants, also called lattice parameters. The symmetry properties of the crystal are described by the concept of space groups, all possible symmetric arrangements of particles in three-dimensional space may be described by the 230 space groups. The crystal structure and symmetry play a role in determining many physical properties, such as cleavage, electronic band structure. The crystal structure of a material can be described in terms of its unit cell, the unit cell is a box containing one or more atoms arranged in three dimensions. The unit cells stacked in three-dimensional space describe the arrangement of atoms of the crystal. Commonly, atomic positions are represented in terms of fractional coordinates, the atom positions within the unit cell can be calculated through application of symmetry operations to the asymmetric unit. The asymmetric unit refers to the smallest possible occupation of space within the unit cell and this does not, however imply that the entirety of the asymmetric unit must lie within the boundaries of the unit cell. Symmetric transformations of atom positions are calculated from the group of the crystal structure. Vectors and planes in a lattice are described by the three-value Miller index notation. It uses the indices ℓ, m, and n as directional parameters, which are separated by 90°, by definition, the syntax denotes a plane that intercepts the three points a1/ℓ, a2/m, and a3/n, or some multiple thereof. That is, the Miller indices are proportional to the inverses of the intercepts of the plane with the unit cell, if one or more of the indices is zero, it means that the planes do not intersect that axis. A plane containing a coordinate axis is translated so that it no longer contains that axis before its Miller indices are determined, the Miller indices for a plane are integers with no common factors. Negative indices are indicated with horizontal bars, as in, in an orthogonal coordinate system for a cubic cell, the Miller indices of a plane are the Cartesian components of a vector normal to the plane. Likewise, the planes are geometric planes linking nodes
Crystal structure
–
Quartz is one of the several thermodynamically stable
crystalline forms of
silica, SiO 2. The most important forms of silica include:
α-quartz,
β-quartz,
tridymite,
cristobalite,
coesite, and
stishovite.
Crystal structure
18.
Orthorhombic
–
In crystallography, the orthorhombic crystal system is one of the 7 crystal systems. All three bases intersect at 90° angles, so the three lattice vectors remain mutually orthogonal, there are two orthorhombic Bravais lattices in two dimensions, Primitive rectangular and centered rectangular. The primitive rectangular lattice can also be described by a centered rhombic unit cell, there are four orthorhombic Bravais lattices, primitive orthorhombic, base-centered orthorhombic, body-centered orthorhombic, and face-centered orthorhombic. In this axis setting, the primitive and base-centered lattices interchange in centering type, crystal structure Overview of all space groups Hurlbut, Cornelius S. Klein, Cornelis. Hahn, Theo, ed. International Tables for Crystallography, Volume A, Space Group Symmetry
Orthorhombic
–
Unit cell
19.
Aragonite
–
Aragonite is a carbonate mineral, one of the two most common, naturally occurring, crystal forms of calcium carbonate, CaCO3. It is formed by biological and physical processes, including precipitation from marine, aragonites crystal lattice differs from that of calcite, resulting in a different crystal shape, an orthorhombic crystal system with acicular crystal. Repeated twinning results in pseudo-hexagonal forms, Aragonite may be columnar or fibrous, occasionally in branching stalactitic forms called flos-ferri from their association with the ores at the Carinthian iron mines. The type location for aragonite is Molina de Aragón,25 km from Aragon for which it was named in 1797, an aragonite cave, the Ochtinská Aragonite Cave, is situated in Slovakia. In the US, aragonite in the form of stalactites and cave flowers is known from Carlsbad Caverns, massive deposits of oolitic aragonite sand are found on the seabed in the Bahamas. Aragonite is the high pressure polymorph of calcium carbonate, as such, it occurs in high pressure metamorphic rocks such as those formed at subduction zones. Aragonite forms naturally in almost all mollusk shells, and as the calcareous endoskeleton of warm-, because the mineral deposition in mollusk shells is strongly biologically controlled, some crystal forms are distinctively different from those of inorganic aragonite. In some mollusks, the shell is aragonite, in others. The nacreous layer of the fossil shells of some extinct ammonites forms an iridescent material called ammolite. Aragonite also forms in the ocean and in caves as inorganic precipitates called marine cements and speleothems, Aragonite is not uncommon in serpentinites where high Mg in pore solutions apparently inhibits calcite growth and promotes aragonite precipitation. Aragonite is metastable at the low pressures near the Earths surface and is commonly replaced by calcite in fossils. Aragonite older than the Carboniferous is essentially unknown and it can also be synthesized by adding a calcium chloride solution to a sodium carbonate solution at temperatures above 60 °C or in water-ethanol mixtures at ambient temperatures. Aragonite is thermodynamically unstable at temperature and pressure, and tends to alter to calcite on scales of 107 to 108 years. The mineral vaterite, also known as μ-CaCO3, is another phase of calcium carbonate that is metastable at ambient conditions typical of Earths surface, in aquaria, aragonite is considered essential for the replication of reef conditions. Aragonite provides the necessary for much sea life and also keeps the pH of the water close to its natural level. Aragonite has been tested for the removal of pollutants like zinc, cobalt. Aragonite sea Ikaite, CaCO3·6H2O Monohydrocalcite, CaCO3·H2O Nacre, otherwise known as Mother-of-Pearl Oolitic aragonite sand The Ochtinska aragonite cave Kosovo Caves Aragonite Formations
Aragonite
–
Aragonite from Salsignes Mine, Aude department, France Size: 30x30x20 cm
Aragonite
–
Aragonite crystals from Cuenca, Castile-La Mancha, Spain
Aragonite
–
Cluster of twinned aragonite from Morocco
Aragonite
–
Remnant biogenic aragonite (thin, rainbow-colored shell) on the ammonite Baculites (
Pierre Shale, Late
Cretaceous, South Dakota).
20.
Specific heat capacity
–
Heat capacity or thermal capacity is a measurable physical quantity equal to the ratio of the heat added to an object to the resulting temperature change. The unit of capacity is joule per kelvin J K. Specific heat is the amount of heat needed to raise the temperature of one kilogram of mass by 1 kelvin, Heat capacity is an extensive property of matter, meaning it is proportional to the size of the system. The molar heat capacity is the capacity per unit amount of a pure substance. In some engineering contexts, the heat capacity is used. Other contributions can come from magnetic and electronic degrees of freedom in solids, for quantum mechanical reasons, at any given temperature, some of these degrees of freedom may be unavailable, or only partially available, to store thermal energy. In such cases, the capacity is a fraction of the maximum. As the temperature approaches zero, the heat capacity of a system approaches zero. Quantum theory can be used to predict the heat capacity of simple systems. In a previous theory of common in the early modern period, heat was thought to be a measurement of an invisible fluid. Bodies were capable of holding an amount of this fluid, hence the term heat capacity, named. Heat is no longer considered a fluid, but rather a transfer of disordered energy, nevertheless, at least in English, the term heat capacity survives. In some other languages, the thermal capacity is preferred. In the International System of Units, heat capacity has the unit joules per kelvin, if the temperature change is sufficiently small the heat capacity may be assumed to be constant, C = Q Δ T. Heat capacity is a property, meaning it depends on the extent or size of the physical system studied. A sample containing twice the amount of substance as another sample requires the transfer of twice the amount of heat to achieve the change in temperature. For many purposes it is convenient to report heat capacity as an intensive property. In practice, this is most often an expression of the property in relation to a unit of mass, in science and engineering, International standards now recommend that specific heat capacity always refer to division by mass
Specific heat capacity
Specific heat capacity
–
Molecules undergo many characteristic internal vibrations. Potential energy stored in these internal degrees of freedom contributes to a sample’s energy content, but not to its temperature. More internal degrees of freedom tend to increase a substance's specific heat capacity, so long as temperatures are high enough to overcome quantum effects.
21.
Standard enthalpy change of formation
–
Its symbol is ΔHo f or ΔfHo. The superscript Plimsoll on this symbol indicates that the process has occurred under standard conditions at the specified temperature. One exception is phosphorus, for which the most stable form at 1 atm is black phosphorus and this is true for all enthalpies of formation. In physics the energy per particle is expressed in electronvolts. All elements in their states have a standard enthalpy of formation of zero. The formation reaction is a constant pressure and constant temperature process, since the pressure of the standard formation reaction is fixed at 1 atm, the standard formation enthalpy or reaction heat is a function of temperature. For tabulation purposes, standard formation enthalpies are all given at a temperature,298 K. The standard enthalpy of formation is equivalent to the sum of separate processes included in the Born–Haber cycle of synthesis reactions. This is because enthalpy is a state function, in the example above the standard enthalpy change of formation for sodium chloride is equal to the sum of the standard enthalpy change of formation for each of the steps involved in the process. This is especially useful for very long reactions with many intermediate steps, chemists may use standard enthalpies of formation for a reaction that is hypothetical. That it is shows that the reaction, if it were to proceed, would be exothermic. It is possible to heat of formations for simple unstrained organic compounds with the Heat of formation group additivity method. Standard enthalpies of formation are used in thermochemistry to find the enthalpy change of any reaction. This implies that the reaction is exothermic, the converse is also true, the standard enthalpy of reaction will be positive for an endothermic reaction. When a reaction is reversed, the magnitude of ΔH stays the same, when the balanced equation for a reaction is multiplied by an integer, the corresponding value of ΔH must be multiplied by that integer as well. Allotropes of an element other than the state generally have non-zero standard enthalpies of formation. Standard enthalpy of sublimation, or heat of sublimation, is defined as the required to sublime one mole of the substance under standard conditions. Standard enthalpy of solution is the change associated with the dissolution of a substance in a solvent at constant pressure under standard conditions
Standard enthalpy change of formation
–
Standard enthalpy change of formation in
Born-Haber diagram for
lithium fluoride.
22.
Worker safety and health
–
These terms of course also refer to the goals of this field, so their use in the sense of this article was originally an abbreviation of occupational safety and health program/department etc. The goals of occupational safety and health programs include to foster a safe, OSH may also protect co-workers, family members, employers, customers, and many others who might be affected by the workplace environment. In the United States, the occupational health and safety is referred to as occupational health and occupational and non-occupational safety. In common-law jurisdictions, employers have a common law duty to take care of the safety of their employees. As defined by the World Health Organization occupational health deals with all aspects of health, Health has been defined as a state of complete physical, mental and social well-being and not merely the absence of disease or infirmity. Occupational health is a field of healthcare concerned with enabling an individual to undertake their occupation. Health has been defined as It contrasts, for example, with the promotion of health and safety at work, since 1950, the International Labour Organization and the World Health Organization have shared a common definition of occupational health. It was adopted by the Joint ILO/WHO Committee on Occupational Health at its first session in 1950, the concept of working culture is intended in this context to mean a reflection of the essential value systems adopted by the undertaking concerned. Such a culture is reflected in practice in the systems, personnel policy, principles for participation, training policies. Professionals advise on a range of occupational health matters. The research and regulation of safety and health are a relatively recent phenomenon. As labor movements arose in response to concerns in the wake of the industrial revolution. The initial remit of the Inspectorate was to police restrictions on the hours in the textile industry of children. The commission sparked public outrage resulted in the Mines Act of 1842. Otto von Bismarck inaugurated the first social insurance legislation in 1883, similar acts followed in other countries, partly in response to labor unrest. Although work provides many economic and other benefits, an array of workplace hazards also present risks to the health. Personal protective equipment can protect against many of these hazards. Physical hazards affect many people in the workplace, Falls are also a common cause of occupational injuries and fatalities, especially in construction, extraction, transportation, healthcare, and building cleaning and maintenance
Worker safety and health
–
This painting depicts a woman examining her work on a lathe at a factory in Britain during World War II. Her eyes are not protected. Today, such practice would not be permitted in most industrialized countries that adhere to strong occupational health and safety standards for workers. In many countries, such standards are either weak or nonexistent, or poorly enforced.
Worker safety and health
–
Workers cutting marble without any protective gear, Indore, India
Worker safety and health
–
Harry McShane, age 16, 1908. Pulled into machinery in a factory in
Cincinnati and had his arm ripped off at the shoulder and his leg broken without any compensation.
Worker safety and health
–
Workplace safety notices at the entrance of a Chinese construction site.
23.
Safety data sheet
–
A safety data sheet, material safety data sheet, or product safety data sheet is an important component of product stewardship, occupational safety and health, and spill-handling procedures. SDS formats can vary from source to source within a country depending on national requirements, SDSs are a widely used system for cataloging information on chemicals, chemical compounds, and chemical mixtures. SDS information may include instructions for the use and potential hazards associated with a particular material or product. The SDS should be available for reference in the area where the chemicals are being stored or in use, there is also a duty to properly label substances on the basis of physico-chemical, health and/or environmental risk. Labels can include hazard symbols such as the European Union standard symbols, a SDS for a substance is not primarily intended for use by the general consumer, focusing instead on the hazards of working with the material in an occupational setting. It is important to use an SDS specific to country and supplier, as the same product can have different formulations in different countries. The formulation and hazard of a product using a name may vary between manufacturers in the same country. Safety data sheets have made an integral part of the system of Regulation No 1907/2006. The SDS must be supplied in a language of the Member State where the substance or mixture is placed on the market. The 16 sections are, SECTION1, Identification of the substance/mixture, relevant identified uses of the substance or mixture and uses advised against 1.3. Details of the supplier of the safety data sheet 1.4, Emergency telephone number SECTION2, Hazards identification 2.1. Classification of the substance or mixture 2.2, Other hazards SECTION3, Composition/information on ingredients 3.1. Mixtures SECTION4, First aid measures 4.1, Description of first aid measures 4.2. Most important symptoms and effects, both acute and delayed 4.3, indication of any immediate medical attention and special treatment needed SECTION5, Firefighting measures 5.1. Special hazards arising from the substance or mixture 5.3, advice for firefighters SECTION6, Accidental release measure 6.1. Personal precautions, protective equipment and emergency procedures 6.2, methods and material for containment and cleaning up 6.4. Reference to other sections SECTION7, Handling and storage 7.1, conditions for safe storage, including any incompatibilities 7.3. Specific end use SECTION8, Exposure controls/personal protection 8.1, Exposure controls SECTION9, Physical and chemical properties 9.1
Safety data sheet
–
An example SDS in a US format provides guidance for handling a
hazardous substance and information on its composition and properties.
Safety data sheet
–
General topics
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