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Chemistry, Biochemistry, and Chemical & Biological Engineering Reference Guide: Data

This Guide contains Chemistry and Chemical & Biological Engineering resources and information. Links below provide a starting place for your research project.

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Vincent Scalfani
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Chemistry Data

Thermodynamic, Physical and Chemical Data

CRC Handbook of Chemistry and Physics

Popular resource for physical constants, units, properties, terminology, solubilities, and more. Available online through CHEMnetBASE.

SciFinder

Start with Explore Substances search, where data can be located by searching a chemical structure, property, molecular formula or substance identifier.  If you can not find what you are looking for, try an Explore References search with a natural language phrase of what you are trying to locate. For example, “viscosity of polysiloxane.” Property data and spectra include both experimental (where available) and predicted. The primary literature references where experimental values have been extracted from are noted.

SpringerMaterials—The Landolt-Boernstein Database

Locate property data by substance name, molecular formula, CAS registry number, and chemical structure. The SpringerMaterials database also has some very nice visual browsing. For example, an interactive periodic table search and organized table of content collections containing direct links to PDF data tables.

ThermoLit: NIST Literature Report Builder

Literature reference search for organic compound thermochemical and thermophysical properties. Contains data for pure compounds and mixtures.

Merck Index Online

Contains physical property data for many chemicals, drugs, and biologicals.

Kirk-Othmer Encylopedia of Chemical Technology

Wide variety of property data of chemicals and materials. Can browse by topic, chemical, process, etc and download PDF. 

Knovel

Property data is searchable by selecting a field (e.g. melt temperature) and locating specific values of interest (e.g. between 100–200 °C).  Data can be sorted in interactive tables.

ChemSpider

Search for property data by substance name, CAS registry number, SMILES, InChI, and structure search.  Property data and spectra include both experimental (where available) and predicted. Original sources of data are linked.

PubChem

Contains predicted and experimental property information for small molecules with a focus on biological activities. There is a good amount of property data available that is searchable though substance name, SMILES, InChI, molecular formula and structure.

MatWeb

Focus is on engineering materials. Property data is searchable by material type, manufacturer, trade name and material property ranges.

Kaye & Laby Tables of Physical & Chemical Constants

Property data is discoverable by keyword search and general browsing through an interactive table of contents.


Compiled Lists of Sources for Thermodynamic, Physical, and Chemical Data

CRC Handbook of Chemistry and Physics Section 18: Sources of Physical and Chemical Data (pp B-1 through B-5)

Great condensed list of quality sources of property data. Print a copy of this resource!

Vanderbilt University Libraries Index to Finding Physical and Chemical Properties

Excellent Interactive list for finding property data.

Arizona State University Index to Physical, Chemical and Other Property Data

Another excellent interactive list for finding property data. Many of the resources include OCLC WorldCat links for books so you can easily determine if UA has the book on site or if you will need to request an interlibrary loan.


Periodic Tables

SpringerMaterials—The Landolt-Boernstein Database

Contains an interactive periodic table search for finding information about elements and element systems.

RSC Visual Elements Periodic Table

Includes facts, data, history and links to ChemSpider.


Crystallography

International Tables for Crystallography

Cambridge Structural Database

The Cambridge Crystallographic Data Centre (CCDC) maintains a variety of Documentation, Resources and Tutorials on the Cambridge Structural Database.

Inorganic Crystal Structure Database

Crystallography Open Database

Research Collaboratory for Structural Bioinformatics Protein Databank