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critical Critically evaluated data
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Finding Thermodynamic and Physical Property Data


More Printed and Web Sources

This page lists property compilations that are important in the pursuit of reliable data. A much more extensive listing of printed handbooks can be found in ThermoDex.

Alloy Phase Diagrams Center U.T. restricted
Search and view more than 11,000 binary and ternary phase diagrams and associated phase data for more than 2400 alloy systems. (ASM)
see more See more about phase diagrams

Beilstein -- see > Reaxys

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. (NIST)

DECHEMA Chemistry data series. critical star
print Chemistry Reference collection, various call numbers
An extensive printed data collection that began in the late 1970s and continues to publish occasional supplements. Emphasis is on thermal properties, phase equilibria (VLE, LLE, SLE), PVT, interfacial tension, and transport properties for systems consisting of relatively small, commercially important organic molecules in the fluid phase. 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)
You can do a free index search in the DETHERM database to see if specific data are available; downloading the data is on a pay-per-view basis, or you can consult the print volumes. Not all the data in DETHERM are in the printed sets however.

Gmelin handbook of inorganic chemistry. critical
print Reference Stacks (Springer, 1924-98)
e-book Reaxys U.T. restricted
German handbook series covering inorganic and organometallic compounds. The volumes are organized by element; start with cumulative Formula Indexes. The text focuses on occurence, preparation, and chemical characterization, but also contains reported chemical and physical property data. The pre-1976 Handbook data is included in the Reaxys database system.

InfoTherm
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, then view data on pay-per-view or license basis. Offered by FIZ Chemie Berlin.

International thermodynamic tables of the fluid state. critical
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 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. critical star
e-book U.T. restricted 2000-
print Journal Stacks, 1972-
This journal, co-published by NIST and the American Institute of Physics, contains articles reporting extensive numerical data.
  • The web version started in 2000, but NIST provides PDF reprints of selected older articles.
  • JPCRD is fully indexed in Chemical Abstracts/SciFinder.
  • The NIST Data Gateway now offers a simple keyword index to JPCRD.
  • Cumulative printed indexes to properties, classes of materials, and authors are found at the end of volumes 10, 20, and 30. (These are also copied in a binder in the Reference Collection.) Annual indexes for later volumes appear in the last issue of each volume. These indexes list only compound classes, not individual compounds. The index for volumes 21-30 unfortunately adopted a subject classification scheme in place of alphabetical ordering of property and class terms, making it somewhat less useful.
  • JPCRD also published a number of monographic supplements over the years. Most of these are shelved in the reference or spectra collections, and are included in ThermoDex.

Kaye and Laby Online
Full text of the 16th edition (1995) of Tables of physical and chemical constants containing 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.

Landolt-Börnstein. critical
print Reference Stacks (6th ed. and New Series, 1950- )
Extensive compilation of physical and chemical data on all types of materials, with a latter-day emphasis on solid state materials and semiconductors. Consult the general index volume under property name. Due to LB's size, complexity and German language it's probably better as a fallback resource than as a first stop.

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
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.

Molinspiration Cheminformatics
Free web site with Java-based (JME) interface for searching substructure, similarity and pharmacophore similarity on a collection of molecules. Also offers a chemical property calculation function for determining estimated logP (octanol-water partition coefficient), PSA, etc.

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

NCMS SOLV-DB (Solvents Database)
Provides physical and chemical properties, environmental/regulatory data, and manufacturers of important solvents.

NIST Chemical Kinetics Database
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."

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

NIST Critically Selected Stability Constants of Metal Complexes Database. critical star
cd rom CDROM 2093 Chem Media Reserves
Version 8.0 covers interactions for aqueous systems of organic and inorganic ligands with protons and various metal ions. It is an expanded and corrected update of Martell and Smith's Critical Stability Constants (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. The User Guide is available online.

NIST-JANAF thermochemical tables. critical star
print QD 511 N57 1998 Reference (4th ed.)
The JANAF (Joint Army-Navy-Air Force) Tables gather new and revised key temperature-dependent thermochemical properties including heat capacity, enthalpy, entropy, Gibbs energy function, enthalpy of formation, Gibbs (free) energy of formation, transition data, fusion data, vaporization data, sublimation data, and the logarithm of the equilibrium constant of formation 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. Much of the JANAF data is now online in various NIST web databases.

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 Scientific and Technical Databases
The National Institute of Standards and Technology offers a variety of free, highly reliable databases of physical and spectral properties (some of which are listed elsewhere on this page).

NSRDS-NBS series. critical
print QC 100 U573 Stacks
72 titles of the National Standard Reference Data Series were published by the NBS 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.

A title list, most of which are available in full text PDF format, can be found on the NIST web site. Selected titles from this series are also indexed in ThermoDex. 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.

OSIRIS Property Explorer
Calculates on-the-fly drug-relevant properties (cLogP, solubility, MW) from a valid structure. Prediction results are valued and color coded. (Actelion)

Periodic Tables
Property data for chemical elements can be found in any number of periodic tables on the Web.

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

PhysProp Database
The Physical Properties Database contains names and physical properties for over 25,250 chemicals. Data are collected from a wide variety of sources, and include experimental, extrapolated, and estimated values for melting point, boiling point, water solubility, octanol-water partition coefficient, vapor pressure, pKa, Henry's law constant, and OH rate constant in the atmosphere. The demo version is searchable only by CAS registry number, and does not show chemical structures or full literature references.

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

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

Reaxys (Beilstein and Gmelin) U.T. restricted star
Millions of evaluated property values reported for millions of organic and inorganic compounds.

Solubility data series. critical
print List of Volumes
print QD 543 S6629 Reference (v.2-65 incomplete)
print v.66- in JPCRD, Journal Stacks
e-book U.T. restricted JPCRD (v.66- use the journal's search feature to find them)
e-book IUPAC-NIST Solubility Database
The most authoritative source of evaluated solubility data for various compounds and solvents. Originally published as a book series by Pergamon Press, then Oxford University Press, the series has continued as articles within the Journal of Physical and Chemical Reference Data. Some volumes are also included in the IUPAC-NIST Solubility Database. UT's print holdings of the original Pergamon series are incomplete.

Thermochemical Properties Estimations
Draw a structure (C 2-12, not aromatic or halogen) and site will generate estimates of various properties with Java applets. From Pirika.com.

Thermochemistry Database
A database that provides thermochemistry for gas-phase and condensed species relevant to a wide range of high-temperature processes, including chemical vapor deposition (CVD), chemical vapor infiltration (CVI), catalysis, combustion, materials corrosion, and aerosol processing. The database includes thermodynamic data (heats of formation, enthalpies, entropies, and heat capacities) for gas and condensed-phase species, thermodynamic models for specific condensed-phase material systems that account for non-ideal behavior in those systems, and a wide range of calculated molecular properties for gas-phase species. (DOE)

Thermodynamics Research Lab
A useful page of links to thermodynamics-related resources, databanks, and software available on the Web. From the Univ. of Illinois at Chicago.

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.

Thermophysical properties of matter. critical
print QC 171 P83 Engin and PMA Reference (IFI/Plenum, 1970)
e-book Thermophysical Properties of Matter TPMD U.T. restricted
Multivolume series edited by Y.S. Touloukian. Volumes cover thermal conductivity, specific heat, thermal expansion, thermal radiation, and viscosity for elements, metals, alloys, and nonmetallic solids, liquids, and gases. Available on the web as CINDAS TPMD.

WolframAlpha
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.

see more See more printed thermodynamic data resources in ThermoDex