Chemistry: Physical

The WebBook produced by National Institute of Standards and Technology provides access to well-documented thermodynamic, spectral, and reaction data for thousands of compounds. Often a good starting point.

This list from the National Institute of Standards and Technology (NIST) is a guide to many free, specialized databases, such as spectra, solubility, physical, thermodynamic data, kinetics, and other specialized and advanced databases.

The National Institute of Standards and Technology (NIST) reference on constants, units, and uncertainty. This site contains CODATA internationally recommended values of the fundamental physical constants.

In this NIST SOURCE Data Archive from the Thermodynamics Research Center (TRC) you can find thermophysical and thermochemical property measurements for thousands of pure compounds and mixtures, and then be able to prepare easy to read reports containing this data. Clicking "Demonstrations" on this home page gives you short, easy to follow animated demonstrations of how to use this tool.

Access to the energies of many photoelectron and Auger-electron spectral lines from a critical evaluation of the published literature. This database contains over 22,000 line positions, chemical shifts, doublet splittings, and energy separations of photoelectron and Auger-electron lines.

Part of SciFinder Scholar includes physical properties, both experimental and calculated, for thousands of substances. After signing in to SciFinder Scholar, click the "Explore Substances" icon, then locate your substance by its name, molecular formula, structure, or Chemical Abstracts Registry Number. This resource is available to CCNY users only. You must pre-register to use this database. Please point your browser to the following URL to self-register: http://tinyurl.com/d95qfw

This journal article is a practical guide for scientists, engineers, and librarians. It describes and evaluates the various Internet resources that provide significant physical property information and are available on the Web for free.

Physical property and toxicological data for over 721,000 chemicals. From the U.S. Environmental Protection Agency.

Links to many different databases containing properties and reactions.

A search engine that aggregates and indexes chemical structures and their associated information into a single searchable repository. You can view a short video about ChemSpider at: http://www.youtube.com/watch?v=eje0AmntuII&hd=1. In April 2018 the editors announced that they are hoping to do more retrospective curation to improve the quality of the data.

Search for a substance, then click Summary. On the next screen you will see links to physical properties.

Here Bio-Rad offers for free, hundreds of thousands of NMR, IR, Raman, UV-Vis, and mass spectra. You can locate compounds by name, synonym, CAS registry Number, or InChIKey. Bio-Rad encourages their use in presentations and publications with proper citation, of course.

A database of more than 40,000 substances, containing syntheses, and physical properties such as melting point, boiling point and density.

From the Thermodynamics Research Laboratory of the University of Chicago, this site lists many data sites, and calculation and program download sites in nano, quantum and statistical mechanics and thermodynamics.

Thermophysical property data for thousands pure compounds and mixtures. Part of their data is available for free.

Data for many common solids, liquids, and gases.

Formerly known as Chmoogle and Chemical Structure Lookup Service (CSLS), emolecules contains links to physical data for millions of organic and inorganic substances from over 70 public and private databases.

A compilation of more than 700 odorants detectable by humans.

A multivolume work containing a vast amount of physical property data on thousands of substances. We also have the printed version of these tables in the Science/Engineering Library Reference Section: Q199 N32.

SDBS has mass spectra, NMR, ESR, IR, and Raman spectra for thousands of compounds. It is compiled by the National Institute of Materials and Chemical Research in Japan. Before using this database, be sure to read their Disclaimer.

A searchable database of material properties includes thermoplastic and thermoset polymers such as ABS, nylon, polycarbonate, polyester, polyethylene and polypropylene; metals such as aluminum, cobalt, copper, lead, magnesium, nickel, steel, superalloys, titanium and zinc alloys; ceramics; plus semiconductors, fibers, and other engineering materials.

This site is primarily for engineers seeking materials that fit their needs. However, chemists, particularly polymer chemists, can find physical properties here.

A database of non-aqueous solubility measurements.

This database of nearly 2500 compounds contains data on melting & boiling points, index of refraction, molecular weight, formula, and spectral peaks. You search it by entering whatever you know about a compound.

The Physical Properties Database lists boiling points, melting points, solubility, partition coefficients, vapor pressure, pK's , Henry's law constants, and OH rate constants for more than 25,000 substances.

Offers FT-NMR and FT-IR Raman spectra for many chemicals in their online catalog. After signing in, do a Product Search for the desired compound.

Originally published by Smithsonian Institution Press in 1954, this classic reference source comprises 901 tables of common physical and chemical data.

An index to over 120 printed handbooks and compilations of thermodynamic data for elements and compounds. Several of these handbooks are in the Science/Engineering Library. You enter a type of substance and the property or properties you desire, and you will receive a list of handbooks that might contain that data.

UV to mid-infrared 0.2-150 micron reflectance spectra of over 1300 minerals, organic and volatile compounds, vegetation, and man-made materials. Also included are mid-infrared data and additional visible and near-infrared spectra.

A metadata-centric, auto-curating repository designed for efficient storage and querying of mass spectral records. It currently contains over 200,000 mass spectral records from experimental and in-silico libraries as well as from user contributions.

Data compiled by Shuzo Ohe from the University of Tokyo.

WebElements is a periodic table of the elements with their physical properties.

In this video produced by the American Chemical Society Division of Chemical Information, Martin Walker points out how recognize when Wikipedia can be a valuable source of information about properties, preparations and uses of chemicals. While this entire video is quite informative, starting just after the 12 minute mark you will see examples of reputable entries having a standardized box (CHEMBOX) on the right side of the screen containing important data and links. The following article from the American Chemical Society's Chemical & Engineering News magazine describes how chemists and chemistry students contribute to Wikipedia http://cen.acs.org/articles/93/i36/Working-Wikipedia.html/. The following article in the Journal of Chemical Education (Volume 93, Issue 3, pages 509–515, 2016) “Improving Information Literacy Skills through Learning To Use and Edit Wikipedia: A Chemistry Perspective”, by Martin A. Walker and Ye Li describes how you can learn to use Wikipedia effectively, and how you can edit Wikipedia articles. Another aide for creating and editing Wikipedia entries: http://wikiedu.org/for-instructors/. Note the Subject-specific entry for chemistry.

This database from Chemical Abstracts Service (CAS) a division of the American Chemical Society, contains the CAS Registry Number®, chemical names (both formal and common), molecular formulas, and structures or sequences for nearly 500,000 chemicals of widespread general public interest, and all 118 elements of the Periodic Table. It also provides links to relevant Wikipedia articles.

Physical and pharmacological properties of thousands of drugs and active chemical entities.

Simply enter the name or molecular formula of a substance and get basic physical data about it. But the sources of this data is not given.

This is exactly what the title suggests - a place where scientists can share spectral data and export it in a number of formats in order to do open science. Each spectrum gets a persistent identifier and contributors can get recognition for their contributions. The site is also an open source project that you can extend, enhance and share.

Available online (click title above) or in print (1956-1992) in Periodical Stacks. A monthly journal devoted to the publication of experimental data and the evaluation and prediction of property values. Focuses on physical, thermodynamic, and transport properties of well-defined materials.

Available online from 1972-2007 (click title above) or in print (1973-1992) in Periodical Stacks.

QD65 .C72 (Reference Section). A a ready reference book of chemical and physical data. Especially useful are its two large tables having basic physical data and solubilities, one table for inorganic compounds and another for organic compounds.

RS51 .M4 2006 (Reference Section). A convenient one volume work containing concise descriptions and properties of thousands of substances. You can find compounds by their names or molecular formulas.

QD246 .D5 (Reference Section). A large multi-volume work containing descriptions and literature references to thousands of organic compounds.

QC61 .L332 (Reference, Section). Contains molecular constants, density, surface tension, dielectric constants, refractive index, vapor pressure, phase transition temperatures and transition enthalpies. In total, 16,897 compounds with 33,828 references to numerical data are recorded.
Index Volume: QC 61 L332 N.S. INDEX
Online index: http://lb.chemie.uni-hamburg.de/
Online index:http://materials.springer.com/

QD151 G52 (Reference Section). A vast collection of data and descriptions of the physical properties, occurrence, preparation, and reactions of elements, inorganic compounds, minerals, alloys, coordination compounds, and organometallics. It covers the literature from the beginning of inorganic chemistry in the 18th century. For help in locating compounds in Gmeln see The Complete Gmelin Catalog: https://research.lib.buffalo.edu/ld.php?content_id=29439406

QC462.85 .A44 (Reference Section). NMR spectal data for nearly 12,000 compounds.

Q199 N32 (Reference Section). A multivolume work containing a vast amount of physical property data on thousands of substances. These tables are also available on the web at: http://chla.library.cornell.edu/c/chla/browse/title/2944761.html

QD511 .N57 1998g (Reference Section). Tables of recommended temperature-dependent values for the standard enthalpy of formation, Gibbs (free) energy of formation, the logarithm of the equilibrium constant of formation and more.

QD503 .G59 (Reference Section). Tables and diagrams of data for binary and multicomponent mixtures up to moderate pressures.

Physical property data is often buried within the primary literature and not retrievable by searching databases. This three volume set Z5853.M38 P8 1967 (Reference Section) contains this often difficult to obtain data for many substances. http://www.istl.org/12-fall/viewpoint.html discusses this useful physical data source.