Chemical properties data

Useful resources for finding chemical property data.

 

 

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Cambridge Structural Database - web based service

Access to the University network via the VPN

Access information: Registration may be required for off-campus access. VPN may be required to register from off-campus.
Description:

Over 700,000 small-molecule organic and organometallic crystal structures that can be visualised and downloaded. The crystallographic data has been determined by X-ray and neutron diffraction techniques.

Additional information:

CSD Remote Desktop for interrogation using associated software packages - see Cambridge Structural Database (CSD) entry

 

 

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Computer Index of Nuclear Reaction Data (CINDA)

Access information: Freely available.
Description:

Bibliographic references to measurements, calculations, reviews, and evaluations of neutron cross-sections and other microscopic neutron data. Includes index references to numerical neutron data from four regional neutron data centers.

Photonuclear and charged particle reaction data included since 2005.

Coverage: Two automatic updates from EXFOR and NSR each year.

 

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CRC Handbook of Chemistry and Physics online

Access information: Access on and off campus. For off campus access please use the University VPN - Access to the University network via the VPN.
Description:

Physical property data and mathematical formulae. Tables are interactive. Structure and property searching is available.

Also includes current international recommendations on nomenclature, symbols, and units. Plus biographies of renowned chemists and physicists.

Coverage: Updated 101st edition.

 

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DETHERM: Thermophysical Properties Database

Access information: Access on and off campus. Off campus users will be asked to register their name and ed.ac.uk email address on initial login.
Description: Thermophysical properties of pure substances and mixtures. Thermodynamic properties, vapour pressures, transport properties, surface tensions, electrolyte data and phase equilibrium data for more than 60,000 pure compounds and 163,000 mixtures.
Coverage: Provides access to the following databases: Dortmunder Datenbank DDB, Electrolyte data collection ELDAR, Thermophysical database INFOTHERM, Thermophysical Parameter database COMDOR, Data collection C-DATA, Solubility Database CAPEC-SDB.
Additional Information:

Read more about the constituent databases.

 

 

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Access information: Access on campus and off campus.
Description: Knovel platform includes technical reference information and interactive tools for targeted Materials/Property search across engineering disciplines.  Over 3,500 books are available during academic year 2017/18. 

 

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Merck Index

Access information: Access on and off campus.
Description: Encyclopedia of chemicals, drugs and biologicals. Includes over 10,000 articles on single substances or groups of related compounds.

 

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Physical Sciences Data-science Service (PSDS)

Access information:

Free at the point of access for students and academics of UK academic institutions.

Personal registration may be required for some services. VPN service may be required to register from off campus.

Description:

A suite of chemistry databases and tools provided by the University of Southampton and the Science and Technology Facilities Council. Funded by the EPSRC.

Coverage: Cambridge Structural Database (CSD), DETHERM, ACD/ILab, BIOVIA Available Chemicals Directory (ACD),  FIZ Karlsruhe's Inorganic Crystal Structure Database (ICSD), CrystalWorks and SPRESIweb.
Additional information:

About the Physical Sciences Data-science Service

(Science & Technology Facilities Services [Daresbury] hosted CrystalWorks access)

 

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Reaxys (Academic Edition)

Access information: Access on and off campus. Use the link to "Sign in via your Institution"  and follow the onscreen instructions.
Description:

Chemical reaction, structure and property data for organic and inorganic compounds. Also bibliographic data. Search by chemical structures and reactions as well as text. Contains the information from Gmelin and Beilstein.

Reaxys and Reaxys Medicinal Chemistry (as of Dec 2022):

  • 170 MILLION organic, inorganic and organometallic compounds
  • 60 MILLION chemical reactions
  • >500 MILLION published experimental facts
  • 16,000 chemistry-related periodicals
  • 196,000 patents
  • 240 years of chemistry knowledge 6 indexing sources for a cross-disciplinary view of chemistry
Coverage: 1771 to date.
Userguides: https://service.elsevier.com/app/answers/list/page/1/c/10545/supporthub/reaxys/

 

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SciFindern - (both University and personal login required)

Not letting you in?

  • Have you registered for your personal SciFinder username/password?
    • An existing SciFinder personal registration will work for SciFindern
  • CAS retired SciFinder classic platform on 1st July 2022. Use the new SciFindern platform linked to above.
  • Going direct, rather than using the link above, requires IP authentication as well as personal registration and therefore connection to the VPN may be necessary.

How to register for a personal SciFinder account (required)

Access information:

Requires personal registration. How to register for SciFinder

Direct access possible with your personal login details plus a University registered IP address

VPN service

 After 20 minutes of inactivity sessions will be closed automatically.
Description:Bibliographic information and abstracts of articles published from more than 50,000 journals. Covers chemistry (all aspects), chemical structures and patents, chemical engineering, biochemistry, biotechnology, genetics. Information on more than 268 million chemical substances.
 Search by chemical structure or text. Full reaction searching allows you to specify reaction sites and map atoms in the reactants. Also, information on patents, chemical suppliers and regulations. Cited reference searching is possible.
Coverage:From 1800s onwards
Additional information:Further support from the supplier for SciFindern

 

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Access Information: Access on and off campus. 
Description:

Provides access to numerical and graphical data on physical and chemical properties of materials and chemical systems. Data sources include the Landolt-Börnstein New Series, the Linus Pauling Files and specialized databases on thermophysical properties, polymer thermodynamics, adsorption isotherms, and substance profiles.

Relevant to research in the fields of Chemistry, Engineering, Materials Science and Physics.