Physical & chemical properties

Resources by categories

• Additional resources for finding properties

  • ASM Alloy Phase Diagram Database
    Contains more than 40,300 binary and ternary phase diagrams, each with their associated crystal and reaction data. Users can search for phase diagrams either via the database content tree, the element search or the search slot. A video tutorial can be found here.
  • ChemIDplus
    ChemIDplus, from the National Library of Medicine, is a free database of some 400,000 chemical compounds. Records consist of name, synonyms, CAS number, molecular formula, properties, and direct links to biomedical resources.
  • ChemExper Chemical Directory
    The ChemExper Chemical Dictionary contains basic properties and spectra, as well as materials safety data sheets. Data is supplied by users, so, exercise caution when using.
  • ChemSpider
    ChemSpider is a free chemical database with access to more than 26 million structures. Both experimental and calculated properties are available including standard ones like specific gravity; melting, boiling, and flash points; refractive index and solubility; as well as appearance, stability, toxicity and safety data.
  • DIPPR Project 801
    The Knovelized 2011 edition of DIPPR 801 is a renowned source of evaluated process design data of physical, thermodynamic, and transport properties for industrially important chemicals used in chemical process and equipment design.
  • Matweb
    MatWeb is a searchable database of properties of more than 86,000 materials. Included are property information on thermoplastic and thermoset polymers, metals, ceramics, semiconductors, fibers and other engineering materials.
  • NIST Chemistry WebBook
    The database contains chemical and physical property data compiled by the National Institute of Standards and Technology (NIST). Up to 45 thermochemical, thermophysical, and ion energetics properties are available for over 40,000 compounds.
    To browse other NIST databases, visit the NIST Data Gateway, which provides information for over 94 NIST databases including the NIST Chemical Kinetics Database, the NIST Elemental Data Index or the Ceramics Portal. Note that some other NIST databases might not be freely accessible.
  • Ullmann's Encyclopedia of Industrial Chemistry
    A comprehensive encyclopedia of science and technology as applied to industrial chemistry; includes information on physical and chemical properties.
  • Wolfram|Alpha: Computational Knowledge Engine
    Wolfram|Alpha contains a wide variety of data on many chemical compounds. While the source for this data are listed, you cannot be certain where a particular information came from. However, the sources for individual results can be requested from Wolfram|Alpha via a web form.

• Crystal structure

  • WebCSD
    The Cambridge Crystallographic Data Centre (CCDC) and FIZ Karlsruhe offer the free service Access Structures via their WebCSD portal to view and retrieve structures from their crystallographic databases CSD (organic compounds) and ICSD (inorganic compounds). Through Access Structures you can view the data sets in both 2D and 3D, see some basic information about the structures and download individual deposited data sets. This free service has its limitations regarding search capabilities offered. Please refer to more detailed information on WebCSD and the free Access Structures service.
  • ICSD – Inorganic Crystal Structure Database
    The ICSD contains inorganic crystal structures published since 1913, including their atomic coordinates. In particular, the database provides information on structural data of pure elements, minerals, metals, and intermetallic compounds; structural descriptors (Pearson symbol, ANX formula, Wyckoff sequences); bibliographic data; and synthesis conditions.
  • International Tables for Crystallography

• Fundamental physical constants

  • Fundamental Physical Constants (NIST)

• Periodic tables

  • The Periodic Table of Data
  • The Photographic Periodic Table of the Elements
  • RSC Visual Elements Periodic Table
  • WebElements: Periodic Table of the Elements

• Spectra & spectral data

  • MassBank
    MassBank is a mass spectral database of experimentally acquired high resolution MS spectra of metabolites. It offers various query methods for standard spectra. The database has very detailed MS data and excellent spectral/structure searching utilities.
  • NIST Atomic Spectra Database
    The Atomic Spectra Database (ASD) contains data for radiative transitions and energy levels in atoms and atomic ions. Data is included for observed transitions of 99 elements and energy levels of 56 elements.
  • NIST Chemistry WebBook
    IR spectra for over 7,500 compounds, Mass spectra for over 10,000 compounds, UV/Vis spectra for over 400 compounds, Electronic and vibrational spectra for over 3000 compounds.
  • Spectral Database for Organic Compounds (SDBS)
    Thousands of IR, 1H-NMR, 13C-NMR, MS, and ESR spectra.
  • USGS Spectroscopy Lab – Spectral Library
    Contains more than 800 UV/Near-IR spectra of minerals, mixtures, artificial, liquids and volatiles and vegetation, each with documentation.
  • UV/Vis Spectra Data Base
    Spectral information (gas, liquid and solid phase from EUV-VUV-UV-Vis-NIR) and related data from published papers. The free database currently contains about 5,700 and data sheets (metadata) for about 900 substances.

• Toxicology & safety

  • Sax's Dangerous Properties of Industrial Materials combines data on toxicology, flammability, reactivity, explosive potential, and regularity information.
  • International Chemical Safety Cards (ICSC)
    The International Chemical Safety Cards (ICSC) contain essential information for interacting safely with chemical substances at the workplace. Users are also informed about important physical-chemical data and special legal regulations on the individual substances.