Physical Property Resources
- SciFinder (Chemical Abstracts)
SciFinder (1907 to present) is a comprehensive source for chemical information, covering scientific journals, patents, conference proceedings, and technical reports. SciFinder requires each user to create their own account for access. - Reaxys (CSUF - does not subscribe)
- CRC Handbook of Chemistry and Physics (at the Reference Desk)
A source for physical science data that spans the full range of the physical sciences and focuses on key data needed by students and professionals. - Perry's chemical engineers' handbook (Reference - TP151 .P45 1997)
- Landolt-Börnstein Substance / Property Index
Lists all substances and their properties which are reported on in the indexed Landolt-Börnstein volumes. Over 160 000 organic and inorganic compounds are described by names, molecular structures, chemical abstract numbers and other identifiers. - CAS Common Chemistry
From Chemical Abstracts Service (CAS), a web resource that contains CAS Registry Numbers for approximately 7,900 chemicals of widespread general public interest. - International Critical Tables of Numerical Data, Physics, Chemistry and Technology (1st Electronic Edition)
Contains physical, thermodynamic, mechanical, and other properties. - MatWeb
Data sheets for over 85,000 metals, plastics, ceramics, chemical elements, and composites. - PubChem
NLM database of compounds, substances, and bioassays, focusing on the biological activities of small molecules. - Spectral Database System (SDBS)
Compiled by the National Institute of Advanced Industrial Science and Technology in Japan. Contains mass spec, proton and C13 NMR, FT-IR, Raman, and ESR data for about 34,000 compounds combined. - Korean Thermophysical Databank
"...provides useful inforamtion about thermophysical properties and calculation methods for hydrocarbons, light gases, polymers and electrolyte solutions commonly encountered in chemical engineering practices." - ChemSpider
A free chemical structure database providing fast text and structure search access to over 50 million structures from hundreds of data sources. - NIST Data Gateway
"The NIST Data Gateway provides easy access to NIST scientific and technical data. These data cover a broad range of substances and properties from many different scientific disciplines." - Protein Data Bank
Portal to biological macromolecular structures. - EPA's Chemical Dashboard
A free database of over 760K compounds. - UK National Physical Laboratory (Formerly Kaye & Laby)
Thermodynamic, electrical, mechanical, acoustical data are just some of the types of data. - Thermodex
Compiled by the University of Texas at Austin Library. Contains links to books and handbooks in their collection. Contains thermodynamic and physical properties data, mostly in print. - Material Safety Data Sheets
Lists the number of MSDS available at each site. - Sigma Aldrich Safety Data Sheets
Allows searching by their product number. There is also web toolbox, structure searching, and “Ask a Chemist.” - ChEMBL
A manually curated chemical database of bioactive molecules with drug-like properties.
More Options for PROPERTY INFORMATION
Chemical Catalogs
Reaction Chemistry Online
Search databases like SciFinder and Web of Science Structure Search
Toxicology
- TOXNET is the TOXicology Data NETwork.
- ChemIDplus for chemical nomenclature and structures.
- CCRIS, Chemical Carcinogenesis Research Information System for “chemical records with carcinogenicity, mutagenicity, tumor promotion, and tumor inhibition test results.
- HSDB Hazardous Substances Database for toxicology of potentially hazardous substances.
- LactMed for drugs and medications to which breastfeeding mothers may be exposed.
- TOXMAP contains GIS information for toxic chemical locations in the US.
- PAN Pesticide Database Searchable by chemicals, products, poisoning diagnostic information, and chemicals responsible for aquatic ecotoxicity.
SMILES | InChi
SMILES: Simplified Molecular Input Line Entry Specification
InChi: International Chemical Identifier
Both notations are used for describing chemical molecules and can be imported by molecule editors for conversion to 2d or 3d structures.
e.g. Ethanol (C2H5OH)
SMILES = CCO
InChi = 1/C2H6O/c1-2-3/h3H,2H2,1H3