物理化学数据来源(英文)

SOURCES OF PHYSICAL AND CHEMICAL DATA In addition to the primary research journals, there are many useful sources of property data of the type contained in the CRC Handbook of Chemistry and Physics. A selected list of these is presented here, with emphasis on print and electronic sources whose contents have been subject to a reasonable level of quality control. A. Data Journals 1. Journal of Physical and Chemical Reference Data — Published jointly by the National Institute of Standards and Technology and the American Institute of Physics, this quarterly journal contains compilations of evaluated data in chemistry, physics, and materials science. It is available in print and on the Internet. [ojps.aip.org/jpcrd/] 2. Journal of Chemical and Engineering Data — This bi- monthly journal of the American Chemical Society publishes articles reporting original experimental measurements car- ried out under carefully controlled conditions. The main em- phasis is on thermochemical and thermophysical properties. Review articles with evaluated data from the literature are also published. [pubs.acs.org/journals/jceaax/index.html] 3. Journal of Chemical Thermodynamics — This journal pub- lishes original research papers that include highly accurate measurements of thermodynamic and thermophysical prop- erties. [www.sciencedirect.com/science/journal/00219614] 4. Atomic Data and Nuclear Data Tables — This is a bi- monthly journal containing compilations of data in atomic physics, nuclear physics, and related fields. [www.science direct.com/science/journal/0092640X] 5. Journal of Phase Equilibria and Diffusion — This jour- nal presents critically evaluated phase diagrams and related data on alloy systems. It is published by ASM International and is the successor to the previous ASM periodical Bulletin of Alloy Phase Diagrams. [www.asm-intl.org] B. Data Centers This section lists selected organizations that perform a continu- ing function of compiling and critically evaluating data in specific fields of science. 1. National Institute of Standards and Technology — Under its Standard Reference Data program, NIST supports a number of data centers in chemistry, physics, and materi- als science. Topics covered include thermodynamics, fluid properties, chemical kinetics, mass spectroscopy, atomic spectroscopy, fundamental physical constants, ceramics, and crystallography. Address: Office of Standard Reference Data, National Institute of Standards and Technology, Gaithersburg, MD 20899 [www.nist.gov/srd/]. 2. Thermodynamics Research Center — Now located at the National Institute of Standards and Technology, TRC maintains an extensive archive of data covering thermody- namic, thermochemical, and transport properties of organ- ic compounds and mixtures. Data are distributed in both print and electronic form. Address: Mail code 838.00, 325 Broadway, Boulder, CO 80305-3328 [www.trc.nist.gov]. 3. Design Institute for Physical Property Data — Under the auspices of the American Institute of Chemical Engineers [www.aiche.org/dippr/], DIPPR offers evaluated data on industrially important chemical compounds. The largest project deals with physical, thermodynamic, and transport properties of pure compounds. Address: Brigham Young University, Provo, UT 84602 [dippr.byu.edu]. 4. Dortmund Data Bank — Maintains extensive databases on thermodynamic and transport properties of pure com- pounds and mixtures of industrial interest. The data are distributed through DECHEMA, FIZ CHEMIE, and other outlets. An abbreviated database system is also available for educational use. Address: DDBST GmbH, Industriestr. 1, 26121 Oldenburg, Germany [www.ddbst.de]. 5. Cambridge Crystallographic Data Centre — Maintains the Cambridge Structural Database of over 350,000 organ- ic compounds. The data files and manipulation software are distributed in several ways. Address: 12 Union Rd., Cambridge CB2 1EZ, U.K. [www.ccdc.cam.ac.uk]. 6. FIZ Karlsruhe — In addition to many bibliographic databas- es, FIZ Karlsruhe maintains the Inorganic Crystal Structure Database in collaboration with the National Institute of Standards and Technology. The ICSD contains the atomic coordinates and related data on over 50,000 inorganic crys- tals. Address: Fachinformationszentrum (FIZ) Karlsruhe, Hermann-von-Helmholtz-Platz 1, D-76344 Eggenstein- Leopoldshafen, Germany [www.fiz-karlsruhe.de]. 7. International Centre for Diffraction Data — Maintains and distributes the Powder Diffraction File (PDF), a file of over 500,000 X-ray powder diffraction patterns used for identification of crystalline materials. The ICDD also dis- tributes the NIST Crystal Data file, which contains lattice parameters for over 235,000 inorganic, organic, metal, and mineral crystalline materials. Address: 12 Campus Blvd., Newton Square, PA 19073-3273 [www.icdd.com]. 8. Research Collaboratory for Structural Bioinformatics — Maintains the Protein Data Bank (PDB), a file of 3- dimensional structures of proteins and other biological macromolecules. Address: Department of Chemistry and Chemical Biology, Rutgers University, 610 Taylor Road, Piscataway, NJ 08854-8087 [www.rcsb.org]. 9. Toth Information Systems — Maintains the Metals Crystallographic Data File (CRYSTMET). Address: 2045 Quincy Ave., Gloucester, ON, Canada K1J 6B2 [www.toth canada.com]. 10. Atomic Mass Data Center — Collects and evaluates high-precision data on masses of individual isotopes and maintains a comprehensive database. Address: C.S.N.S.M (IN2P3-CNRS), Batiment 108, F-91405 Orsay Campus, France [www.nndc.bnl.gov/amdc]. 11. Particle Data Group — International center for data of high-energy physics; maintains a database of properties of fundamental particles that is published in both print and electronic form. Address: MS 50-308, Lawrence Berkeley National Laboratory, Berkeley, CA 94720 [pdg.lbl.gov]. 12. National Nuclear Data Center — Maintains databases on nuclear structure and reactions, including neutron cross sec- tions. The NNDC is the U.S. node in an international net- work of nuclear data centers. Address: Brookhaven National Laboratory, Upton, NY 11973-5000 [www.nndc.bnl.gov]. B-1 13. International Union of Pure and Applied Chemistry — Address: PO Box 13757, Research Triangle Park, NC 27709-3757 [www.iupac.org]. IUPAC supports a number of long-term data projects, including these examples: a. Solubility Data Project — Carries out evaluation of all types of solubility data. The results are published in the Solubility Data Series, whose current outlet is the Journal of Physical and Chemical Reference Data. [www.iupac.org/divisions/V/cp5.html] b. Kinetic Data for Atmospheric Chemistry — Maintains a comprehensive database on the kinetics of reactions important in the chemistry of the atmo- sphere. [www.iupac-kinetic.ch.cam.ac.uk/] c. International Thermodynamic Tables for the Fluid State — Prepares definitive tables of the thermody- namic properties of industrially important fluids. Thirteen volumes have been published by IUPAC. [www.iupac.org/publications/books/seriestitles/] d. Stability Constants Database — Collection of met- al-ligand stability constants and associated software. [www.acadsoft.co.uk] C. Major Multi-Volume Handbook Series 1. Chapman & Hall/CRC Chemical Dictionaries — These originally appeared in print form as the Dictionary of Organic Compounds, Dictionary of Natural Products, etc. They are now published in electronic form and are avail- able in CDROM format [www.crcpress.com] and on the Internet [www.chemnetbase.com]. The consolidated ver- sion, called the Combined Chemical Dictionary, has data on more than 450,000 compounds spanning all branches of chemistry. The coverage includes physical properties, biological sources, hazard information, uses, and litera- ture references. 2. Properties of Organic Compounds — Originally pub- lished in three editions as the Handbook of Data on Organic Compounds, it is now in electronic form as Properties of Organic Compounds. The database includes about 30,000 compounds; physical properties and spectral data (mass, infrared, Raman, ultraviolet, and NMR) are covered. It is offered as CDROM [www.crcpress.com] and by Web ac- cess [www.chemnetbase.com]. 3. Beilstein Handbook of Organic Chemistry — The classic source of data on organic compounds, dating from the 19th century, Beilstein was converted to electronic form in the last decade of the 20th century. Over 8 million compounds and 10 million chemical reactions are now covered, with a broad range of physical properties as well as synthetic methods and ecological data. The database is accessed by the CrossFire software [www.mdli.com]. 4. Gmelin Handbook of Inorganic and Organometallic Chemistry — A subset of the information in the print series has been converted to electronic form and is now distributed in the same manner as Beilstein. In addition to the standard physical properties, the coverage includes a wide range of optical, magnetic, spectroscopic, thermal, and transport properties for about 1.4 million compounds [www.mdli.com]. 5. DECHEMA Chemical Data Series — DECHEMA dis- tributes the DETHERM database, which emphasizes data used in process design in the chemical industry, including thermodynamic and transport properties of about 20,000 pure compounds and 90,000 mixtures. Access is available through in-house databases and via the Internet [www. dechema.de]. 6. Landolt-Börnstein Numerical Data and Functional Relationships in Science and Technology — Landolt- Börnstein covers a very broad range of data in physics, chemistry, crystallography, materials science, biophysics, astronomy, and geophysics. Hard-copy volumes in the New Series (started in 1961) are still being published, and the entire New Series is now accessible on the Internet [www.landolt-boernstein.com]. D. Selected Single-Volume Handbooks The following handbooks offer broad coverage of high-quality data in a single volume. This list is only representative; an exten- sive listing of handbooks in all fields of science may be found in Handbooks and Tables in Science and Technology, Third Edition (Russell H. Powell, ed., Oryx Press, Westport, CT, 1994). 1. American Institute of Physics Handbook — Although an old book, it contains much data that are still useful, espe- cially in acoustics, mechanics, optics, and solid state phys- ics. (Dwight E. Gray, ed., McGraw-Hill, New York, 1972) 2. Constants of Inorganic Substances — This book pres- ents physical constants, thermodynamic data, solubility, reactivity, and other information on over 3000 inorganic compounds. Since it draws heavily on Russian literature, it contains a great deal of data that do not make their way into most U.S. handbooks. (R. A. Lidin, L. L. Andreeva, and V. A. Molochko, Begell House, New York, 1995) 3. Handbook of Chemistry and Physics — Now in the 88th Edition, the CRC Handbook covers data from most branches of chemistry and physics. The annual revisions permit regular updating of the information. Also available on CDROM [www.crcpress.com] and the Web [hbcpnet- base.com]. (David R. Lide, ed., CRC Press, Boca Raton, FL, 2007) 4. Handbook of Inorganic Compounds — This book covers physical constants and solubility for about 3300 inorganic compounds. Also available on CDROM [www.crcpress. com]. (Dale L. Perry and Sidney L. Phillips, eds., CRC Press, Boca Raton, FL, 1995) 5. Handbook of Physical Properties of Liquids and Gases — This is a valuable source of data on all types of fluids, ranging from liquid and gaseous hydrocarbons to molten metals and ionized gases. Detailed tables of physical, thermodynamic, and transport properties are given for temperatures from the cryogenic region to 6000 K. Western and Russian literature is covered. (N. B. Vargaftik, Y. K. Vinogradov, and V. S. Yargin, Begell House, New York, 1996) 6. Handbook of Physical Quantities — The range of cover- age is somewhat similar to the CRC Handbook of Chemistry and Physics, but with a stronger emphasis on physics than on chemistry. Solid state physics, lasers, nuclear physics, geophysics, and astronomy receive considerable attention. (Igor S. Grigoriev and Evgenii Z. Meilikhov, eds., CRC Press, Boca Raton, FL, 1997) 7. Kaye & Laby Tables of Physical and Chemical Constants — Kaye & Laby dates from 1911, and the 16th Edition was prepared in 1995 by a committee of experts. The cover- age extends to almost every field of physics and chemis- try; data on a limited number of representative substances or materials are given for each topic. (Longman Group Limited, Harlow, Essex, U.K., 1995) B-2 Sources of Physical and Chemical Data 8. Lange’s Handbook of Chemistry — Provides broad cover- age of chemical data; last updated in 2005. Also available on the Web [www.knovel.com]. (James G. Speight, ed., McGraw-Hill, New York, 2005) 9. Recommended Reference Materials for the Realization of Physicochemical Properties — This IUPAC book em- phasizes highly accurate data on substances and materials that can be used as calibration standards. It covers physical, thermal, optical, and electrical properties. (K. N. Marsh, ed., Blackwell Scientific Publications, Oxford, 1987) 10. The Merck Index — Now in its 14th Edition (published in 2006), The Merck Index is a widely used source of data on over 10,000 compounds, chosen particularly for their im- portance in biology, medicine, and ecology. A short mono- graph on each compound gives information on the synthe- sis and uses as well as physical and toxicological properties. A CD-ROM accompanies the book. (Maryadele J. O’Neil, ed., John Wiley & Sons, Indianapolis, IN, 2006) E. Summary of Useful Web Sites for Physical and Chemical Properties Most of the Web sites in the following list provide direct access to factual data on physical and chemical properties. However, the list also includes portals that link to different property databases or describe the procedure for gaining access to electronic sources of property data. There are also a few chemical directory sites that are useful for obtaining formulas, synonyms, and registry numbers for substances of interest. Web Site Address Comments ACD/Labs Spectral Data www.acdlabs.com/products/spec_lab/exp_ spectra/UV_ir/ Infrared and Raman spectra collections from Coblentz Society and other sources Acronyms and Symbols www3.interscience.wiley.com/stasa/ Free service; useful for identifying acronyms for chemicals Advanced Chemistry Development www.acdlabs.com Chemical directory, with programs for estimating physical and spectral properties Alloy Center products.asminternational.org/alloycenter/ Physical, electrical, thermal, and mechanical properties of alloys American Mineralogist Crystal Structure Database www.geo.arizona.edu/AMS/amcsd.php Lattice constants of minerals Atomic Mass Data Center www.nndc.bnl.gov/amdc See B.10 Beilstein www.mdl.com/products/knowledge/crossfire_ beilstein/ See C.3 Biocatalysis/Biodegradation Database umbbd.ahc.umn.edu/ Biocatalytic reactions, biodegradation of chemical compounds BioCyc biocyc.org/ Metabolic pathways of microorganisms BioInfo Bank gibk26.bse.kyutech.ac.jp/jouhou/jouhoubank.html Portal to ProTherm (protein thermodynamics), ProNit (protein–nucleic acid interactions), biomolecule structures Biological Macromolecule Crystallization Database xpdb.hist.gov:8060/BMCD4/ Crystal data and crystallization conditions for proteins, nucleic acids, and complexes BRENDA www.brenda.uni-koeln.de Enzyme nomenclature and properties Cambridge Structural Database www.ccdc.cam.ac.uk See B.5 Carbon Dioxide Information Center cdiac.esd.ornl.gov/ Data on atmospheric carbon dioxide Ceramic Properties Databases www.ceramics.org/cic/propertiesdb.asp Mechanical, thermal, and other properties of ceramic materials Chapman & Hall/CRC Combined Chemical Dictionary www.chemnetbase.com/scripts/ccdweb.exe See C.1 ChemExper www.chemexper.com/ Consolidated chemical catalogs from various suppliers; provides physical properties and safety data; links to molfiles and MSDS Chemfinder www.chemfinder.com Chemical directory, with links to several property databases Chemical Acronyms Database www.oscar.chem.indiana.edu/cfdocs/libchem/ acronyms/acronymsearch.html Useful for associating chemical names and acronyms Chemical Information Sources–Physical Property Information cheminfo.informatics.indiana.edu/cicc/cis/index. php/Physical_Property_Information Extensive listing of print and electronic sources of chemical data ChemIDplus chem.sis.nlm.nih.gov/chemidplus/ Chemical directory ChemIndustry www.chemindustry.com/chemicals/ Chemical directory CHEMnetBASE www.chemnetbase.com Portal to C&H/CRC Chemical Dictionaries, Handbook of Chemistry and Physics, Properties of Organic Compounds, etc. ChemWeb Databases www.chemweb.com/content/databases Portal to databases from John Wiley and others CODATA Databases www.codata.org/resources/databases/index.html Thermodynamic key values and fundamental constants Crystallography Open Database (COD) www.crystallography.net Crystal data on 12,000 compounds Sources of Physical and Chemical Data B-3 Web Site Address Comments DECHEMA (DETHERM) www.dechema.de See C.5 DIPPR Pure Compound Database dippr.byu.edu See B.3 Dortmund Data Bank www.ddbst.de See B.4 Enzyme Nomenclature Database www.expasy.ch/enzyme/ IUBMB nomenclature for enzymes European Bioinformatics Institute www.ebi.ac.uk/Databases/ Nucleotide and protein sequences, protein structures, enzyme nomenclature and reactions FDM Reference Spectra Databases www.fdmspectra.com/ Infrared, Raman, and mass spectra FIZ Chemie Berlin www.fiz-chemie.de Portal to DETHERM (C.5), Dortmund Data Bank (B.4), Infotherm FIZ Karlsruhe — ICSD www.fiz-karlsruhe.de See B.6 Fundamental Physical Constants physics.nist.gov/constants CODATA fundamental constants Gmelin www.mdli.com/products/knowledge/crossfire_ gmelin/ See C.4 Handbook of Chemistry and Physics hbcpnetbase.com Web version of CRC Handbook Hazardous Substances Data Bank toxnet.nlm.nih.gov/cgi-bin/sis/htmlgen?HSDB Physical and toxicological properties of chemicals of health or environmental importance HITRAN Database cfa-www.harvard.edu/hitran/ High resolution spectroscopic data for constituents of the atmosphere; parameters for calculating atmospheric transmission Infotherm www.fiz-chemie.de/infotherm/servlet/ infothermsearch Physical and thermal properties of pure compounds and mixtures International Centre for Diffraction Data www.icdd.com See B.7 International Spectroscopic Data Bank www.is-db.org All types of spectra, deposited by users. Access is free Ionic Liquids Database (ILThermo) ilthermo.boulder.nist.gov/ Thermodynamic and thermophysical properties of ionic liquids and mixtures Ionic Liquids Catalogue ildb.merck.de/ionicliquids/en/startpage.htm Miscibility and other properties of organic liquids IUBMB www.chem.qmw.ac.uk/iubmb/ Enzyme and nucleic acid nomenclature IUCr Data Activities www.iucr.org/iucr-top/data/index.html#database3 Portal to crystallographic databases IUPAC Home Page www.iupac.org See B.13 IUPAC Kinetics Data www.iupac-kinetic.ch.cam.ac.uk/ See B.13.b IUPAC Nomenclature Rules www.chem.qmul.ac.uk/iupac/ Useful site for organic and biochemical nomenclature IUPAC-NIST Solubility Database srdata.nist.gov/solubility/ See B.13.a Klotho Biochemical Compounds Declarative Database www.biocheminfo.org/klotho/ Structure diagrams of biochemical molecules Knovel.com www.knovel.com Portal to Lange’s Handbook, Perry’s Chemical Engineers’ Handbook, etc. Landolt-Börnstein Online www.landolt-boernstein.com See C.6 Lipidat www.lipidat.chemistry.ohio-state.edu/ Structures and thermodynamic properties of lipids; crystal polymorphic