Chemical data collections

A guide to Web sites and printed handbooks which cover data in all fields of chemistry. See Chemistry resources for other more specific guides.

Web sources

Chemistry WebBook, National Institute of Standards and Technology.: A major collection of data compiled under NIST's Standard Reference Data Program. Includes thermochemical data for organic and small inorganic compounds, heat of reaction data, IR spectra, mass spectra, ion energetics data. Can be searched by name, formula, CAS registry number, molecular weight, ionization energy or proton affinity.
Physical reference data, National Institute of Standards and Technology.: Includes CODATA values for the fundamental physical constants; units and conversion factors; atomic and molecular spectroscopic data; X-ray and gamma-ray data.
PHYSPROP: Physical Properties Database, Syracuse Research Corporation: A large set of physical property data including melting point, boiling point, water solubility, octanol-water partition coefficient, vapour pressure, pKa, Henry's Law constant, OH rate constant in the atmosphere. The free demonstration version can be searched by CAS number.
Kaye and Laby. Tables of physical and chemical constants. 16th ed. 1995.: Section includes commonly used chemistry data.
Also in Reference collection 530.8 K23t.16
Kirk-Othmer Encyclopedia of chemical technology
and
Ullmann's encyclopedia of industrial chemistry.: Both encyclopaedias are useful for data on common, industrial or environmental substances. Often includes physical data, reactions, methods, environmental aspects, uses, safety of substances. Has substantial bibliographies after articles often including reports and patents.
Smithsonian physical tables. 9th revised ed, 2003. Smithsonian Institution.: A basic set of common physical and chemical data.
Journal of chemical and engineering data. 1956-.: Also Main collection 660.5 J8
Can search the full text of articles. Publishes experimental data on the physical, thermodynamic and transport properties of organic, inorganic and biochemical compounds; the correlation and prediction of properties; latest international standards on symbols, terminology, and units of measurement.
Journal of physical and chemical reference data, 2000-: Also Reference collection 530.805 J86 1972-
The journal critically evaluates and presents standard reference data derived from the primary literature. Also has Monographs and Supplements for longer reviews of data.
The print version has cumulative author, property and materials indexes in volumes 10, 20, 30 and the last issue of later volumes. Properties in the indexes include: boiling point, bond dissociation energy, density, dielectric constant, electrode potential, electron affinity, electronic molecular spectra, equilibrium constant, heat of formation, melting point, rate constants of chemical reactions, refractive index, solubility, thermodynamic properties (enthalpy, entropy, Gibbs energy, heat capacity), vapor pressure, vibrational spectra (Infrared, Raman), viscosity.
International critical tables of numerical data, physics, chemistry and technology. E.W. Washburn. McGraw-Hill, 1926-33. Online version through Knovel.: Also as a 7 volume printed work in the Reference collection 530.8 N277
A classic set of evaluated data on the physical and chemical properties of organic and inorganic substances. Now dated, covering the literature to 1924, but still likely to contain some data not available elsewhere.
Knovel critical tables: Contains tables of physical, solvent, and thermodynamic properties of inorganic and organic compounds.
Quick sources of basic data:: Common compound library, Frostburg, U.S.
Fundamental physical properties, Shuzo Ohe, Science University of Tokyo
Common molecules collection
Molecule of the Month, Bristol University
Molecules of the month, University of Oxford
ChemExper Chemical Directory
Properties of various gases, Flexware - molecular weight, critical pressure, critical temperature
ChEBI: Chemical Entities of Biological Interest, EBI
Chemistry search engines searching open access sources:: Chemfinder
Chemical Structure Lookup Service, NIH
eMolecules
ChemSpider and ChemRefer
Chem_xSeer
Lists of data sources:: Chemical Databases on the Web, Indiana University.
Chemical databases, links for Chemists, University of Liverpool
Index to Physical, Chemical and Other Property Data, Arizona State University Libraries
Chemical and physical properties, Duke University Libraries

Printed sources

Landolt-Börnstein

Zahlenwerte und Funktionen aus Physik, Chemie, Astronomie, Geophysik und Technik. 6th ed. Reference collection 541.9 L25.6
and
Zahlenwerte und Funktionen aus Naturwissenschaften und Technik/ Numerical data and functional relationships in science and technology. New series. 1961-1999. Reference collection 541.9 L25z
These two series form a major compilation of data in English and German.
An online index Landolt-Börnstein Search searches by substance and shows volumes containing data.

National standard reference data series. U.S. National Bureau of Standards. 1, 1964- 34, 1970; 36, 1971 - 73, 1987.

Main collection 606 U58na
A series of volumes each devoted to a set of physical or chemical data. No. 55, 1975 is a Property index to 1964-72.

Tables de constantes et données numériques/Tables of constants and numerical data. Pergamon Press, 1947-70. 17 vols.

Main collection 541 T11
In French. Volumes of chemical data include:
8. Oxidation-reduction potentials. 1958.
9. Optical rotatory power: triterpenoids. 1958.
10. Optical rotatory power: amino acids. 1959.
11. Optical rotatory power: alkaloids. 1959.
14. Optical rotatory power: steroids. 1965.
15. Sesquiterpenoids. 1966.
17. Spectroscopic data for diatomic molecules. 1970.

Tables annuelles de constantes et données numériques de chimie, de physique de biologie et de technologie.Gauthier-Villars, 1914-1935.

Main Collection 541 T1

CRC handbook of chemistry and physics. 84th ed. 2003-2004.

Reference collection 540.212 C11
An extensive handbook. Note:

Section 3 which covers organic and organometallic compounds. This table is arranged by name and has its own structure index, molecular formula index, melting point and boiling point indexes.
Section 4 which covers elements and inorganic compounds.
The index. CRC's free online searchable index to the 87th edition can be used as an approximate guide to data in the Library's 84th edition.

Lange's handbook of chemistry. Ed. J.A. Dean. 14th ed. 1992.

Reference collection 540.202 L274l.14
An extensive handbook with sections on organic compounds, conversion tables, inorganic chemistry, properties of atoms, radicals and bonds, physical properties, thermodynamic properties, spectroscopy, electrolytes, electromotive force and chemical equilibrium, physicochemical relationships, polymers, rubbers, fats,oils,waxes, practical laboratory information. Has a subject index. See detailed contents.

Macmillan's chemical and physical data. A.M. James and M.P. Lord. 1992.

Reference collection 540.212
Chemistry sections include: Properties of the elements, properties of molecules, electrochemistry, spectroscopy, physical properties of inorganic and organic compounds, thermodynamic properties of elements and compounds, chemical kinetics, health and safety. See detailed contents of the chemistry section.

Book of data. Ed. H. Ellis. 1985.

Reference collection 502.12 E47b
A briefer set of data but can be useful for very common substances. Includes sections on spectroscopy, atomic and molecular structure, thermochemistry. See detailed contents of the chemistry sections.

The chemist's companion: a handbook of practical data, techniques, and references.1972.

Main collection 542 G662c
Dated. Has a greater emphasis on techniques than many other handbooks of data. Sections include: properties of molecular systems, properties of atoms and bonds, kinetics and energetics, spectroscopy, photochemistry, chromatography, experimental techniques, mathematical and numerical information; subject index.

Chemical properties handbook : physical, thermodynamic, environmental, transport, safety, and health related properties for organic and inorganic chemicals. Carl L. Yaws. McGraw-Hill, c1999.

Reference collection 540.212 Y35c
Contains critical properties, heat capacity, enthalpy of vaporization, enthalpy of fusion, vapor pressure, density of liquid, surface tension, refractive index, dipole moment, radius of gyration, entropy, enthalpy of formation, Gibbs energy of formation, solubility, Henry's law constant, adsorption on activated carbon, soil sorption coefficient, viscosity, thermal conductivity, flash point, exposure limits, coefficient of thermal expansion.

Recommended data of selected compounds and binary mixtures. K. Stephan. Dechema, 1987.

660.29 S827r
Contains properties of 20 organic compounds and their binary mixtures including vapor pressure, enthalpy of vaporization, density, heat capacity, surface tension, viscosity, thermal conductivity, refractive index.

Physical properties: a guide to the physical, thermodynamic and transport property data of industrially important chemical compounds. C.L. Yaws. McGraw-Hill, 1977.

Reference collection 541.3 Y35p
Physical and thermodynamic properties represented in graphs for common inorganic and organic compounds. Commonly includes boiling point, melting point, molecular weight, critical constants, vapor pressure, heat of vaporization, heat cpacity, density, surface tension, viscosity, thermal conductivity, heat of formation, free energy of formation.

Critical data of pure substances. K.H. Simmrock. Dechema, 1986.

Reference collection 660.29 S592c
Contains citical temperature, critical pressure, critical volume, critical compressibilities and boiling point of the elements and inorganic and organic compounds.

Handbook of vapor pressure. 4 vols. C L. Yaws. Gulf Pub. Co., c1994-c1995.

Reference collection 660.29 Y35h
Contains vapor pressure graphs over a wide temperature range for organic and inorganic substances.

The vapour pressures of pure substances. 1973.

Main collection 541 B752

Quantities, units and symbols in physical chemistry. IUPAC Physical Chemistry Division. 2nd ed. 1993.

Reference collection 541.3014 M657q
Contains IUPAC recommendations for quantities and units symbols, mathematical symbols, abbreviations and acronyms; best estimates of the fundamental physical constants; conversion factors. Some entries also included in:

IUPAC compendium of chemical terminology, 2nd ed, 1997, A.D. McNaught.

Structure of free polyatomic molecules : basic data. Ed. K. Kuchitsu. Springer, 1998.

Reference collection 541.22 K95s
Geometric data on organic and inorganic polyatomic molecules.

Reference data on atoms, molecules and ions. A.A. Radzig. Springer-Verlag, 1986.

Main collection 541.2 R133s

Compendium of ab initio calculations of molecular energies and properties. 1967. NIST Technical note, 438.

Main collection 606 U58n 438

Composite index for CRC handbooks. 3rd ed. 3 vols.

Reference collection 502.12 C7371
A subject index to the data in 317 handbooks published by CRC Press. Only some of these handbooks are held in the University of Adelaide Library - check the Library catalogue.

Techniques

SyntheticPages: an interactive database of chemical procedures: Organic, organometallic and inorganic chemical synthesis, reactions and procedures deposited by synthetic chemists.
Purification of laboratory chemicals. 2nd ed. 1980.: Main collection 542 P457p
Techniques of chemistry (Weissberger). 1971-1978.: Main collection 547 W43t.4
Supersedes:
Technique of organic chemistry. 1945-69. Main collection 547 W43t and Technique of inorganic chemistry. 1963. Main collection 546 J76
The chemist's companion: a handbook of practical data, techniques, and references. 1972.: Main collection 542 G662c
Dated. Has a greater emphasis on techniques than many other handbooks of data. Sections include: properties of molecular systems, properties of atoms and bonds, kinetics and energetics, spectroscopy, photochemistry, chromatography, experimental techniques, mathematical and numerical information; subject index.