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critically evaluated data Critically evaluated data
recommended resource Recommended

More Thermodynamic and Physical Property Data Sources

This page lists a wider selection of databases, web sites, compilations, data series, and books. An even more extensive listing of more than 300 printed compilations can be found in ThermoDex.

ATcT Thermochemical Tables
List of 0 K and 298.15 K enthalpies of formation for 1057 species. (Argonne Nat. Lab.)

Searchable thermodynamic properties of about 90,000 molecules drawn largely from NIST data.

CO2 Properties Online
Free calculator for thermodynamic and transport properties of carbon dioxide.

Critical stability constants.
see under NIST entry below.

DECHEMA Chemistry data series. critically evaluated data recommended resource
print Chemistry Reference
These serial data collections began in the late 1970s. Emphasis is on thermal properties, phase equilibria (VLE, LLE, SLE), PVT, and transport properties for systems consisting of small, commercially important organic molecules in the fluid phase. (The library no longer purchases new volumes in these series.) Series titles:
  • Vapor-liquid equilibrium data collection. (QD 503 G59)
  • Critical data of pure substances. (QD 511.8 S555 1986)
  • Heats of mixing data collection. (TP 156 M5 H43 1984)
  • Recommended data of selected compounds and binary mixtures. (QD 526 S74 1987)
  • Liquid-liquid equilibrium data collection. (QD 503 S67)
  • Vapor-liquid equilibrium for mixtures of low boiling substances. (QD 503 V36 1982)
  • Solid-liquid equilibrium data collection. (QD 503 K55 1987)
  • Activity coefficients at infinite dilution. (QD 541 A28 1986)
  • Thermal conductivity and viscosity data of fluid mixtures. (QC 145.4 T5 S74 1988)
  • Phase equilibria and phase diagrams of electrolytes. (QD 565 E64 1990)
  • Electrolyte data collection. (QD 565 B35 1993)
  • Polymer solution data collection. (QD 381.9 S65 H36 1992)
  • Solubility and related properties of large complex chemicals. (QD 543 M385 2003)

DETHERM critically evaluated data
Database of checked thermophysical data on over 21,000 pure substances and 100,000 mixtures, corresponding in part to the printed Chemistry Data Series (above). You can do a free search to see if specific data tables are available. Downloading the data is on a pay-per-view basis. Some of the older data may be found in the DECHEMA CDS volumes.

Gmelin handbook of inorganic chemistry. critically evaluated data
print Reference Stacks (Springer, 1924-98)
e-book Reaxys U.T. restricted
German handbook series covering inorganic and organometallic compounds. The text focused on occurence, preparation, and chemical characterization, but also contained reported chemical and physical property data. The pre-1976 Handbook data is included in the Reaxys database system.

IAPWS Water Properties critically evaluated data
Recommended formulations for numerous properties of water, steam, and aqueous solutions. (Int. Assoc. for the Properties of Water and Steam)

Property data of 6,600 pure compounds and 24,000 mixtures: tables of PVT properties, phase equilibria, transport and surface properties, caloric properties, acoustic, and optical properties. Free searching and preview; data available on pay-per-view or license basis. (FIZ Chemie Berlin)

International critical tables. critically evaluated data
print Q 199 N32 Reference (7 vols., index; McGraw-Hill, 1926-30)
e-book Knovel E-Book
e-book Cornell E-Book
Although quite dated now, in its time the ICT was the best and best-known compilation of evaluated physical, mechanical and chemical data, and . Some of the units used are obsolete, but it is still worth checking for hard-to-find information and it remains a significant work. It was prepared under the auspices of the National Research Council.

International thermodynamic tables of the fluid state. critically evaluated data
print QD 511.8 I584 Reference (Pergamon; Blackwell Scientific)
Sponsored by IUPAC, this book series exhaustively described behaviors of several basic gases and liquids. Library has volumes on CO2, chlorine, oxygen, ethylene, fluorine, methanol, and methane.

IUPAC-NIST Solubility Database
see under Solubility Data Series below.

JANAF thermochemical tables.
see under NIST-JANAF thermochemical tables below.

Journal of Physical and Chemical Reference Data.
see under NIST entry below.

Kaye and Laby tables of physical and chemical constants.
print QC 61 K3 1995 Reference (Longman, 16th ed., 1995)
e-book Kaye and Laby Online
Contains many data tables and fundamental constants.

KDB (Korean Thermophysical Properties Databank)
Provides thermophysical property data and calculation methods for hydrocarbons, light gases, polymers and electrolyte solutions commonly encountered in chemical engineering practices. Includes sections on pure component properties, VLE, and equilibrium data. Data are unattributed and of unknown provenance.

Landolt-Börnstein critical
print Reference Stacks (6th ed. 1950-80; New Series, 1961- )
Extensive compilation of physical and chemical data on all types of materials, with an emphasis on solid state materials and semiconductors.

Manual for predicting chemical process design data : data prediction manual.
print TP 200 M362 1983 Reference
This AIChE/DIPPR manual provides methods for predicting data for mixtures and pure compounds that fall outside the published literature.

MatWeb's database includes manufacturer-supplied property data on about 24,000 materials, including thermoplastic and thermoset polymers, metals, steel, superalloys, titanium and zinc alloys, ceramics, semiconductors, fibers, and other engineering materials. Searchable by material type, trade name, property parameters, manufacturer, etc.

National standard reference data service of the USSR. critically evaluated data
print QD 511.8 N374 Reference (Hemisphere, 1987-91)
Translated from a Russian series, these volumes cover thermodynamic properties of a number of gases: helium, nitrogen, methane, ethane, oxygen, air, ethylene, freons, noble gases, and propane.

NIST Scientific and Technical Databases

Clathrate Hydrate Properties
Contains evaluated thermophysical property data for gas hydrate systems taken from the archival literature.

CODATA Fundamental Physical Constants
A self-consistent set of values of the basic constants and conversion factors of physics and chemistry recommended by the Committee on Data for Science and Technology (CODATA) for international use. Further, it describes in detail the adjustment of the values of the subset of constants on which the complete set of recommended values is based.

"ILThermo is a web-based ionic liquids database available free to the public. It aims to provide users worldwide with up-to-date information on publications of experimental investigation on ionic liquids, including numerical values of chemical and physical properties, measurement methods, sample purity, uncertainty of property values, as well as many other significant measurement details. The database can be searched by means of the ions constituting the ionic liquids, the ionic liquids themselves, their properties, and references." (SRD 147)

Journal of physical and chemical reference data. critically evaluated data recommended resource
e-book U.T. restricted 1972-
print Journal Stacks, 1972-
This journal, co-published by NIST and the American Institute of Physics, contains articles and monographs reporting extensive critical property data.
  • The NIST Data Gateway offers a keyword index to JPCRD. The site also offers free PDF reprints of selected older articles. JPCRD is fully indexed in SciFinder.
  • JPCRD also published a number of monographic supplements over the years. Most of these are shelved by subject in the reference or spectra collections, and are indexed in ThermoDex. Free PDF versions of most of them are available on the NIST site.

NIST Chemical Kinetics Database recommended resource
This database "includes essentially all reported kinetics results for thermal gas-phase chemical reactions. The database is designed to be searched for kinetics data based on the specific reactants involved, for reactions resulting in specified products, for all the reactions of a particular species, or for various combinations of these. In addition, the bibliography can be searched by author name or combination of names. The database contains in excess of 38,000 separate reaction records for over 11,700 distinct reactant pairs. These data have been abstracted from over 12,000 papers with literature coverage through early 2000." (SRD 17)

NIST Critically Selected Stability Constants of Metal Complexes Database. critically evaluated data recommended resource
cd rom CDROM 2093 Chem Reserves
Covers interactions for aqueous systems of organic and inorganic ligands with protons and various metal ions. It is an expanded and corrected update of Critical Stability Constants (Martell and Smith, Plenum Press, 1974-89). Includes 22,898 protonation constants under specified conditions of temperature and ionic strength for over 4,700 ligands, along with 3429 heats of protonation and 3016 entropies of protonation. Note: The ver.8.0 software runs only on legacy Windows XP and earlier 32-bit systems, requiring an emulator. The User Guide is available online.

NIST-JANAF thermochemical tables. critically evaluated data recommended resource
print QD 511.8 N57 1998 Reference (4th ed.)
The JANAF (Joint Army-Navy-Air Force) Tables tabulate temperature-dependent thermochemical properties for over 47 elements and their associated compounds. The 1800+ tables cover the crystal, liquid, or ideal gas states for single and multi-phases of many inorganic substances and organic substances with one or two carbon atoms. (The searchable database is the 3rd edition and carries a date of 1985. The 4th edition is available as PDF files. Text searching is case sensitive!)

NIST Physical Reference Data
This site compiles and organizes many kinds of critically evaluated and up-to-date physical data, with searchable bibliographic sources. Physical constants, atomic and molecular spectroscopic data, ionization data, x-ray and gamma-ray data, nuclear physics data, and condensed matter data, etc. There is also an index to these databases based on chemical element.

NIST Solution Kinetics Database
Contains data on rate constants for solution-phase chemical reactions. The database is designed to be searched by reactants, products, solvents, or any combination of these. Coverage of the literature is through early 1995. The database contains more than 11,500 unique chemical species most of which have chemical formulas and CAS numbers. A database of more than 32,000 chemical names gives primary and alternate names for the compounds in the database.

NIST Thermophysical Properties of Fluid Systems
Part of the NIST WebBook, this database offers accurate isobaric, isothermal and saturation properties of a number of common fluids, gases, refrigerants, and important hydrocarbons.

NSRDS-NBS series. critically evaluated data
print QC 100 U573 Stacks
e-book PDF
72 titles of the National Standard Reference Data Series were published by the National Bureau of Standards from 1964 to 1982. The series focused on physical, spectral, and radiochemical data compilations and critical reviews. Some were later updated in JPCRD and its supplements. Most are available free on the NIST web site. Indexing: A cumulative property index covering nos. 1-42 of this series plus other NSRDS publications between 1964 and 1972 was published in no.55. The cumulative property index in v.5 (1976) of JPCRD also included entries for nos. 43-58 of this series. Selected titles from this series are included in ThermoDex.

ThermoML files represent experimental thermophysical and thermochemical property data reported in the corresponding articles published by several major journals in the field. These files are posted on this server through cooperation between the Thermodynamics Research Center (NIST-TRC) and the journal publishers.

Phase Equilibria Diagrams Online U.T. restricted
A collection of more than 23,000 critically-evaluated phase diagrams in support of ceramics research. The database is a joint project of the American Ceramic Society and NIST and provides phase diagrams for oxides, salts, carbides, nitrides, brides, compound semiconductors, and chalcogenides. More sources of phase diagrams

pKa Table (Bordwell)
Tables of acidity in DMSO for organic structures, arranged by classification. Derived from studies by F.G. Bordwell. A popular table by Ripin and Evans is here.

PGM - Platinum Group Metals
Database of physical properties and phase diagrams of platinum group metals and their alloys.

Polymers Property Database U.T. restricted
Searchable e-book of properties and applications of important polymers. (CRC ChemnetBase)

The Properties of gases and liquids.
print TP 242 P62 2001 Stacks (5th ed., McGraw Hill, 2001)
Review of estimation methods for standard properties, emphasizing those with best validity for practicing chemical and process engineers.

Properties of ordinary water-substance in all its phases: water-vapor, water, and all the ices.
print QD 169 W3 D6 1940 Reference (Reinhold, 1940)
Definitive but dated handbook of water properties.

Selected data on mixtures. Series A.
print Journal Stacks (TRC, 1973-2005)
A journal that reported thermodynamic properties of non-reacting organic binary systems in a standard tabular format. UT owns only 1973-77 and 1985-95 plus an index volume.

Smithsonian physical tables. 9th ed.
print QC 61 S664 1954 Reference
e-book Knovel E-Book
901 tables of common physical and chemical data.

Solubility data series. critically evaluated data recommended resource
print QD 543 S6629 Reference (v.2-65 incomplete)
e-book JPCRD U.T. restricted (v.66-)
e-book IUPAC-NIST Solubility Database
The most authoritative source of evaluated solubility data. Originally published as a book series by Pergamon Press, SDS has continued within the JPCRD; use the journal's search feature to find them. A few volumes are included in the IUPAC-NIST Solubility Database.

Chemical, physical, environmental, health, and regulatory data on 200+ commercially available solvents. Searchable by name/synonym, CAS RN, Sax number, property ranges, etc. (NCMS)

see Landolt-Börnstein above.

Steam Tables Online
Free online calculator using IAPWS-IF97 and IAPWS-95 formulations. Also Gas Tables (properties of combustion gases).

Thermal Resources
A suite of free resources that includes a Materials Database with over 1000 searchable materials, with corresponding thermal conductivity, thermal diffusivity, thermal effusivity, specific heat and density information; a literature database of papers on thermal conductivity; simulation software; and a properties calculator. (Thermtest)

Thermochemical Properties Estimations
A collection of Java applets that generate estimates of various properties.

Thermophysical properties of matter. critically evaluated data
print QC 173.397 P87 1970 Reference (IFI/Plenum, 1970-79)
e-book TPMD U.T. restricted
This reference set covered thermal conductivity, specific heat, thermal expansion, thermal radiation, and viscosity for elements, metals, alloys, and nonmetallic solids, liquids, and gases. Now available as the TPMD database from CINDAS.

A "computational knowledge engine" powered by Mathematica software and various numeric datasets. Some chemical and physical data can be found, although its accuracy and attribution are open to question.


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