Chemical Properties
- Alloy Phase Diagrams Center
- Search and view more than 11,000 binary and ternary phase diagrams and associated phase data for more than 2400 alloy systems. (ASM)
- Beilstein Crossfire
- Millions of evaluated property values reported for over 7 million organic compounds.
- CODATA Fundamental Physical Constants (1998)
- A self-consistent set of values of the basic constants and conversion factors of physics and chemistry recommended by the Committee on Data for Science and Technology (CODATA) for international use. Further, it describes in detail the adjustment of the values of the subset of constants on which the complete 1998 set of recommended values is based. The 1998 set replaces the 1986 version. (NIST)
- CRC Handbook of Chemistry and Physics
- The classic first-stop resource for chemical and physical data in one volume. Tables in searchable HTML and PDF text formats. (CRCnetbase)
- DIPPR Physical and Thermodynamic Properties
- The DIPPR database consists of experimental data and correlations of temperature-dependent properties for over 1,600 pure chemicals. Collected data have been evaluated, correlated, and checked for thermodynamic consistency. From this site, you can view data sets, DIPPR-approved property constants, and regressed correlation coefficients for temperature-dependent properties, as well as calculate temperature-dependent properties in any set of units. Searchable by chemical name, CAS registry number, empirical and structural formulas, and numeric property ranges. 2D and 3D chemical structures are also displayable (3D requires Chime plug-in). Access to this resource is funded by the Dept. of Chemical Engineering.
- IUPAC-NIST Solubility Database
- Data derived from 18 volumes of the printed Solutiblity Data Series, concerned primarily with liquid-liquid systems, giving mutual solubilities and liquid-liquid equilibria of binary, ternary and quaternary systems. A limited number of multi-component (organic-water-salt) systems are also included. Typical solvents and solutes include water, seawater, heavy water, inorganic compounds, and a variety of organic compounds such as hydrocarbons, halogenated hydrocarbons, alcohols, acids, esters and nitrogen compounds. For many systems, sufficient data were available to allow critical evaluation. Data are expressed as mass and mole fractions as well as the originally reported units.
- KDB (Korean Thermophysical Properties Data Bank)
- Provides thermophysical property data and calculation methods for hydrocarbons, light gases, polymers and electrolyte solutions commonly encountered in chemical engineering practices. Includes sections on pure component properties, VLE, and equilibrium data.
- MatWeb
- MatWeb's database includes manufacturer-supplied property data on about 24,000 materials, including thermoplastic and thermoset polymers, metals, steel, superalloys, titanium and zinc alloys, ceramics, semiconductors, fibers, and other engineering materials. Searchable by material type, trade name, property parameters, manufacturer, etc.
- Molinspiration Cheminformatics
- Free web site with Java-based (JME) interface for searching substructure, similarity and pharmacophore similarity on a collection of molecules. Also offers a chemical property calculation function for determining estimated logP (octanol-water partition coefficient), PSA, etc.
- NCMS SOLV-DB (Solvents Database)
- Provides physical and chemical properties, environmental/regulatory data, and manufacturers of important solvents.
- NIST Chemical Kinetics Database
- This database "includes essentially all reported kinetics results for thermal gas-phase chemical reactions. The database is designed to be searched for kinetics data based on the specific reactants involved, for reactions resulting in specified products, for all the reactions of a particular species, or for various combinations of these. In addition, the bibliography can be searched by author name or combination of names. The database contains in excess of 38,000 separate reaction records for over 11,700 distinct reactant pairs. These data have been abstracted from over 12,000 papers with literature coverage through early 2000."
- NIST Chemistry WebBook
- The NIST Chemistry WebBook contains thermochemical data for over 6500 organic and small inorganic compounds, reaction thermochemistry data for over 9800 reactions, IR spectra for over 8700 compounds, mass spectra for over 12,600 compounds, electronic / vibrational spectra for over 4100 compounds, UV/VIS spectra for 400 compounds, constants of diatomic molecules (spectroscopic data) for over 600 compounds, ion energetics data for over 16,000 compounds, and thermophysical property data for 33 fluids. There are many avenues for searching the database. Structures are given for most species, as well as common and commercial names.
- NIST Physical Reference Data
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This site compiles and organizes many kinds of critically evaluated and up-to-date physical data, with searchable bibliographic sources. Physical constants, atomic and molecular spectroscopic data, ionization data, x-ray and gamma-ray data, nuclear physics data, and condensed matter data, etc. There is also an index to these databases based on chemical element.
- NIST Scientific and Technical Databases
- The National Institute of Standards and Technology offers a variety of free, highly reliable databases of physical and spectral properties (some of which are listed elsewhere on this page).
- NIST-TRC Web Thermo Tables
- The TRC Thermodynamic Tables database offers a collection of critically evaluated thermodynamic property data primarily for pure organic compounds. As of January 2008 it contains information on 7765 compounds with 890,684 evaluated data points. Searchable by name/segment, formula, and molecular weight. Interactive plotting is performed with Ptplot Java Applet.
- OSIRIS Property Explorer
- The OSIRIS Property Explorer lets you draw chemical structures and calculates on-the-fly various drug-relevant properties (cLogP, solubility, MW) whenever a structure is valid. Prediction results are valued and color coded. Properties with high risks of undesired effects like mutagenicity or a poor intestinal absorption are shown in red, whereas a green color indicates drug-conforming behaviour. Provided by Actelion.
- PGM - Platinum Group Metals
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Database of physical properties and phase diagrams of platinum group metals and their alloys.
- PhysProp Database
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The Physical Properties Database contains names and physical properties for over 25,250 chemicals. Physical properties are collected from a wide variety of sources, and include experimental, extrapolated, and estimated values for melting point, boiling point, water solubility, octanol-water partition coefficient, vapor pressure, pKa, Henry's law constant, and OH rate constant in the atmosphere. The web demo version is searchable only by CAS registry number, and does not show chemical structures or full literature references.
- Polymers Property Database
- Searchable e-book of properties and applications of important polymers.
- Properties of Organic Compounds
- Database of over 29,000 of the most commonly sought organic compounds, featuring physical data, spectral data, and structures. It is an easy-to-use tool for identifying unknown compounds or for locating additional data and references for a known compound. Derived from the Handbook of Data on Organic Compounds (HODOC). Requires installation of a Windows plug-in to view and search structures.
- Thermo Chemical Properties Estimations
- Use Java applets to draw small organic (C2-C12) molecules and calculate various thermochemical values. Not a professionally designed site, but useful within its limits.
- ThermoDex
- Use this tool to identify printed handbooks (and some free Web databases) that contain reliable thermodynamic and physical data on all types of substances.
- Thermodynamic and Physical Property Information
- Guide to finding thermodynamic and physical property data for chemical substances.
Chemical Properties 
