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Chemistry: A Guide to Web Resources: Properties, Constants, & Calculators

Properties, Constants, & Calculators

American Elements (Periodic Table)

The periodic table from American Elements provides basic technical data, safety data, properties, research, applications, and other useful facts about the elements. Properties and information about the compounds produced by American Elements are also available.

ChemExper Chemical Directory

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. 

Chemicool Periodic Table

Find properties of and information about the elements.

Chemistry Functions

From the University of Massachusetts, it provides simple calculators for unit conversions, molar conversions, and a program which balances chemical equations.


Simple interactive calculators for isotope patterns, element percentages, oxidation state, electron count, VSEPR, MLXZ, & reaction yields.


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.

CODATA Key Values for Thermodynamics

A table of internationally agreed upon values for the thermodynamic properties of key chemical substances.

Elemental Data Index

From NIST, the Elemental Data Index provide data and information about each element including atomic weight, ground state configuration, atomic spectra, ionization energy, X-ray and gamma-ray data, radiation dosimetry data, nuclear physics data, and condensed matter physics data.

Elements Database

This dynamic periodic table of the elements presents information on the chemical elements including the element symbol, atomic number, atomic weight, and detailed description. There are also printable periodic tables and information about other systems to organize the elements.

F*A*C*T (Facility for the Analysis of Chemical Thermodynamics)

From the école Polytechnique de Montréal, F*A*C*T is a chemical software package for thermodynamic data. The software is not free, but the Web site offers free access to a subset of the database. Even without the full functionality provided by the software, this is an excellent tool for finding stable compounds of given elements under particular physical conditions.

Finding Physical & Chemical Properties

Developed at Vanderbilt University, this guide provides a subject index to numerous physical and chemical property resources, both in print and online. Although it is an index to resources at Vanderbilt, the University at Albany has many of the books and online resources that are cited. You will need to check the UAlbany's catalog to see if is available.

Fundamental Physical Constants

This NIST Web site provides the values of the basic constants and conversion factors of chemistry & physics.

Guide for the Use of the International System of Units (SI)

Provides assistance in the use of the SI (the modern metric system).

Indices for the Journal of Physical and Chemical Reference Data

Author, properties, and classes of materials indices.

International Critical Tables of Numerical Data, Physics, Chemistry and TechnologyAccessible to University at Albany users only

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.

IUPAC-NIST Solubility Database

The information in this database was originally published in the IUPAC-NIST Solubility Data Series. It is concerned primarily with liquid-liquid systems, however, a limited number of multi-component (organic-water-salt) systems are also included. There are over 30,000 solubility measurements.

Landolt-Börnstein Substance/Property Index

From the University of Hamburg (Germany), this Web site provides an index to compounds in Landolt-Börnstein's Numerical Data and Functional Relationships in Science and Technology. It can be searched by a combination of name, CAS registry number, formula, mass, or structure. It can also be browsed by organic name, formula, and CAS RN or inorganic formula and element system. Although this index links to the full text at Springer, the University at Albany does not subscribe to this service. Many of the volumes are available in the Science Library [QC 61 Z3].

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.

Knovel Critical TablesAccessible to University at Albany users only

Knovel Critical Tables (kCT) are based on the International Critical Tables of Numeric Data, Physics, Chemistry, and Technology, and include 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.

Knovel Unit Converter
Knovel Unit Converter is a tool which converts over 1,000 built-in measurements.  Users can convert any unit of measurement to nearly any other  unit in a few steps. 
Martindale's Calculators On-Line Center: Chemistry

Find links to chemistry calculators from the basic to the complex.

Molecular Weight Calculator

Enter the molecular formula & receive the molecular weight.

NIST Chemistry WebBook

The NIST Chemistry WebBook contains: thermochemical properties for over 7,000 organic and small inorganic compounds; reaction thermoochemistry data for over 8,000 reactions; ion energetics data for over 16,000 compounds; IR spectra for over 8,000 compounds, mass spectra for over 33,000 compounds; UV/Vis spectra for over 1,600 compounds; gas chromatography data for over 27,000 compounds; electronic and vibrational spectra for over 5,000 compounds; constants of diatomic molecules for over 600 compounds; and thermophysical property data for 74 fluids. Compounds can be searched by name, chemical formula, CAS registry number, molecular weight, and chemical structure.

NIST Data Gateway

The NIST Data Gateway provides access to broad range of property and substance data as well as to databases producted by the National Institute of Standards and Technology.

Organic Compounds Database

A database comprised of nearly 2,500 organic compounds, it may be searched by melting point, boiling point, index of refraction, molecular weight, formula, absorption wavelength, mass spectral peak, chemical type, and by partial name. Results include the same data plus additional critical information.

Periodic Table Live!

From the Chemical Education Digital Library, Periodic Table Live! contains information about the elements including reactions, properties, preparation, uses, atomic data, images, structures, and discovery and history.  There are also videos.

The PGM Database

The PGM Database (Platinum Group Metals) contains published data on the physical properties and characteristics of platinum group metals and their alloys. There is information on over 400 alloys. It is fully searchable and browsable.

Smithsonian Physical TablesAccessible to University at Albany users only

The Smithsonian Physical Tables cover a wide range of common physical and chemical data. It includes general physical constants and units of measurement as well as tables on photometry, mechanical properties, building materials, density, acoustics, diffusion, geomagnetism, radiation, abundance of substances, colloids, electron emission, fission, and gravitation. The 901 tables are fully searchable and the index is hyperlinked to the data.

Solubility Resources

From the Caltech Library System, this Web page lists several resources for finding solubility information. (Please note that beginning with volume 66, publications in the IUPAC-NIST Solubility Data Series have been appearing in the Journal of Physical and Chemical Reference Data.)


Provides a wide variety of data on solvents including chemical & physical, health & safety, regulatory, and environmental fate data.

Thermal Resources

In the Materials Database, Thermal Resources contains properties like thermal conductivity, thermal diffusivity, specific heat capacity, thermal effusivity, and density.  The website also includes a database of articles, a thermal property calculator, and other resources.

Thermo Chemical Properties Estimations

After the structure is entered, this program will estimate the property. The following properties are covered: vapor pressure, critical temperature, critical pressure, critical volume, boiling point, density, heat of formation, Gibbs energy of formation, and entropy of formation, heat capacity, solubility parameter, octanol-water partition coefficient, heat of vaporization, viscosity, thermal conductivity, hydrogen bonding energy, refractive index, and surface tension.

Vapor Pressure Data

Provides vapor pressure data in graph form.

Visual Elements

Striking visual representations of the elements along with chemical data and notes on industrial usage and biological functions. From the Royal Society of Chemistry.


Provides general, chemical, physical, nuclear, electronic, biological, geological, crystallographic, reduction potentials, isotope abudances, electronic configurations, & ionization enthalpies for the elements.

Wikipedia Chemical Structure Explorer

Wikipedia contains entries for over 15,000 substances.  The Wikipedia Chemical Structure Explorer is an interface to find information about those substances.  It includes an exact structure, substructure and similarity search tool, and a browse feature.  Information provided can include occurtence, discovery, structure, names, identifiers, properties, preparation, biosynthesis, history, uses, safety precautions, synthesis and production, role in biology and disease, medical use, adverse effects, pharmacology, references, further readings, and external links.


Subject Guide

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Kathleen Flynn
Science Library, SL-142
University at Albany
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