LibGuides: Chemistry: Library Resources: Find Data

Physical & Chemical Property Data

International Critical Tables of Numerical Data, Physics, Chemistry and Technology (1st Electronic Edition)
ICT contains the best (critical) data derived from the literature up to 1924. It includes data on physical, thermodynamic, mechanical, and other important properties for chemistry, physics, and engineering. The data is presented as text, equations, tables, graphs, and charts. ICT is fully searchable and the index is hyperlinked to the data.
A print copy is available at the Science Library.
Knovel Critical Tables
Knovel Critical Tables (kCT) is based on the International Critical Tables of Numeric Data, Physics, Chemistry, and Technology, and includes up-to-date, evaluated data on over 13,000 compounds. The tables contain data on organic and inorganic compounds, and pure substances. New tables will be added to kCT on a regular basis. kCT is fully searchable.
Smithsonian Physical Tables (9th Revised Edition)
Originally published in 1964, the Smithsonian Physical Tables covers a wide range of common physical and chemical data.

CRC Handbook of Chemistry and Physics
The classic ready-reference book of physical and chemical data. It is issued annually with revised information and new material. Previous editions are available in the Science Library circulating collection. [SCIENCE REF QD 65 H3]
AIP Physics Desk Reference
Divided into the disciplines of physics, each chapter contains fundamental constants, conversion factors, basic mathematical and physical formulas for that discipline. [SCIENCE REF QC 61 P49 2003]
PubChem
Kaye and Laby Online
Contains the entire 16th edition (1995) of Kaye and Laby's Tables of Physical and Chemical Constants. It is freely available from the UK's National Physical Laboratory, and includes important physical and chemical property data. Kaye and Laby Online is searchable, or may be browsed. Note: this is an archived version as the site is no longer being updated.
NIST Physical Reference Data
NIST Physical Reference Data provides access to critically evaluated physical constants, atomic spectroscopic data, molecular spectroscopic data, ionization data, X-ray and gamma-ray data, radiation dosimetry data, nuclear physics data, condensed matter physics data, and other NIST data.
ThermoDex
ThermoDex is a searchable database containing records for over 90 printed handbooks and Web-based compilations of thermodynamic and thermophysical data for chemical compounds.
Fundamental Physical Constants
This NIST Web site provides the values of the basic constants and conversion factors of physics and chemistry.
CODATA Key Values for Thermodynamics
A table of internationally agreed upon values for the thermodynamic properties of key chemical substances.
Journal of Physical and Chemical Reference Data
Search for data and properties in the Journal of Physical and Chemical Reference Data.

Spectral Data

SciFinderⁿ
Find substances, reactions, references, and patent information.
Note: Restricted to UAlbany students, faculty, and staff. You will need to set up a personal account from an @albany.edu email address. Register Now

NIST Chemistry Webbook
Contains mass spectra for 12,000 compounds, IR spectra for over 8,000 compounds, UV/Vis spectra for over 400 compounds.
Spectral Data Base System for Organic Compounds (SDBS)
An integrated spectral database system for organic compounds, which includes 6 different types of spectra: MS, 13C NMR, 1H NMR, ESR, IR, & Raman.
SpectraBase
Curated by Bio-Rad Laboratories, SpectraBase contains "hundreds of thousands" of free NMR, IR, Raman, UV-Vis, and mass spectra. It can be searched by chemical name, synonym, CAS registry number, or InChiKey.
Sigma-Aldrich (products catalog)
Sigma-Aldrich provides access to FT-NMR and FT-IR Raman spectra for many of their products. To find the spectra of a compound, do a product search or browse the products catalog. The spectra are available in PDF format.
ChemExper
The ChemExper search engine searches over 9,000,000 chemicals from more than 2,300 suppliers. Search by chemical name, molecular formula, registry number, or substructure, and find synonyms, structures, and basic properties. Links to suppliers will uncover MSDS, spectra, and other properties.
ChemSpider
ChemSpider is a chemical structure database. It can be used to search, aggregate, and data mine publicly available chemical information, including data from PubChem. It can be searched by exact structure, substructure, and similarity structure as well as by chemical names and molecular formula, and limited by properties. ChemSpider has been enhanced with calculated properties from ACD Labs. ChemSpider provides access to over 35 million structures along with properties and associated information.
BMRB: BioMagResBank
BMRB contains a repository of NMR results from peptides, proteins, and nucleic acids. There is also a collection of computer software applications used for biomolecular NMR.
NMRShiftDB
NMRShiftDB is an open database of chemical structures and their associated nuclear magnetic resonance (NMR) data. It is a growing database that can be searched by several keys.
Atomic Spectroscopy Databases
From NIST Physical Measurement Laboratory, it contains critically evaluated data and bibliographies on atomic spectra, energy levels, wavelengths, transition probabilities, and line shapes.
Elemental Data Index
Provides access to data for each element in the periodic table; includes atomic spectra data, x-ray and gamma ray data, radiation dosimetry data, nuclear physics data, & condensed matter physics data.

Crystallography

Cambridge Structural Database
Cambridge Structural Database (CSD) is a highly curated repository of small molecule crystal structures. It contains X-ray and neutron diffraction information for carbon-containing compounds composed of up to 1,000 atoms. Included are organics, organometallics, metal complexes, compounds of main group elements, peptides of up to 24 residues, and mono-, di-, and tri-nucleotides. The Web CSD version is usually sufficient for most users.

The Client CSD version includes advanced features and requires downloading the client software. Contact Kathleen Flynn for client software download instructions.

AtomWork
The Inorganic Material Database aims to cover all basic crystal structure, x-ray diffraction, property and phase diagram data of inorganic and metallic materials from main literature sources.
Biological Macromolecule Crystallization Database
The BMCD stores information on protein and nucleic acid crystals that have been reported in the literature or deposited in the Protein Data Bank.
Crystallography Open Database
Reciprocal Net
Reciprocal Net contains a database of crystallography and molecular structure. It is both searchable and browsable. Funded by NSF, it is currently under development and will become part of the National Science Digital Library.
American Mineralogist Crystal Structure Database
Maintained by the Mineralogical Society of America and the Mineralogical Association of Canada, this database contains every structure published in the American Mineralogist, The Canadian Mineralogist, and the European Journal of Mineralogy. Structures will be added from additional publications. Searchable by minerals, authors, chemistry, cell parameter and symmetry, or by a simple general search.

Synthesis

Chemical Synthesis Database
Chemical Synthesis Database (ChemSynthesis) is a collection over 40,000 compounds with citations to their synthesis. Each record also includes physical properties like density, melting point, and boiling point. ChemSynthesis is searchable by chemical name, CAS registry number, molecular formula, InChiKey, smiles, and journal title. It also has structure search capability.
ChemSpider: SyntheticPages
From the Royal Society of Chemistry, SyntheticPages is a database of synthetic procedures. It contains practical and reliable organic, organometallic, and inorganic chemical synthesis, reactions, and procedures. SyntheticPages is updated continuously, fully searchable, and freely available. Synthetic chemists who wish to contribute must register.
Organic Synthesis
Database of organic reactions that can be searched by keyword or structure.

Misc. Data

The Lund/LBNL Nuclear Data Search
Provides access to data from the Table of Isotopes handbook; data may be accessed via radiation or nuclide searches.
National Nuclear Data Center
This Brookhaven National Laboratory resource contains databases on nuclear structure, decay, and reactions. The Website also includes nuclear structure, decay, and reaction tools, as well as access to bibliographic databases.
Table of New Nuclear Moments (2001 Preprint)
Nicholas Stone of Oxford University has compiled a revised table; Dr. Stone seeks additional items for inclusion and comments on the table. It is available in PDF format.
RCSB Protein Data Bank
Common Chemistry
Chemical Abstracts Service (CAS) and Wikipedia have collaborated to create Common Chemistry. Common Chemistry contains records for about 7,800 substances of widespread general public interest. Each record includes the CAS index name, chemical name synonyms, CAS registry number, formula, structure, and a link to Wikipedia for information about the substance. Common Chemistry can be searched by chemical name or CAS registry number.
Substance Registry System
The Substance Registry System is a database produced by the U.S. Environmental Protection Agency (EPA) containing information on more than 70,000 substances. It identifies chemicals listed in EPA regulations.
Chemical Entities of Biological Interest (ChEBI)
ChEBI contains nearly 5,000 chemicals with links to their biological effects.

Research Guides

Chemistry: Library Resources

Librarian

Physical & Chemical Property Data

Spectral Data

Crystallography

Synthesis

Misc. Data