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e-book Electronic resource
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print Print resource
critical Critically evaluated data
star 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.


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 More about phase diagrams

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. critical star
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. (Due to cost 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 critical
Database of checked thermophysical data on over 21,000 pure substances and 100,000 mixtures, corresponding in part to the Chemistry Data Series (above). You can do a free index search to see if specific data 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. Produced by DECHEMA and FIZ Chemie.

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

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. (FIZ Chemie Berlin)

International critical tables. critical
print Q 199 N32 Reference (7 vols., McGraw-Hill, 1926-30)
Although very dated now, in its time the ICT was the best and best-known compilation of evaluated physical and chemical numerical data, and it is still worth checking for hard-to-find information. Some of the units used are obsolete, and much of the data has been superseded by more modern compilations, but it remains a significant work. It was prepared under the auspices of the National Research Council.

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 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 Online star
print QC 61 K3 1995 Reference (Longman, 16th ed., 1995)
Full text 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. Caution: 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 a latter-day emphasis on solid state materials and semiconductors. Consult the general index volume under property name. UT owns volumes through 1998.

SpringerMaterials is an online version of the entire LB New Series up to the present time. The Advanced Search page allows you to enter substances and/or property terms and find LB chapters that might contain the data you're looking for. Examining the chapter "cite as" information can tell you which LB volume contains the data (but not the page numbers). UT-Austin does not subscribe to SpringerMaterials, so full text is not available.

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 star
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, 1987-91)
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
NIST Scientific and Technical Databases
The National Institute of Standards and Technology offers many reliable sources of physical and spectral properties. Here is a selection.

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
"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. 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 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 also fully indexed in SciFinder.
  • 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 large data compilations as 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 star
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. critical star
cd rom CDROM 2093 Chem 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 511.8 N57 1998 Reference (4th ed.)
e-book PDF Version (1998) | Web Version (1985)
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. critical
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
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.


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

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

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 physical properties for over 25,000 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. (SRC)

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.

Solubility data series. critical star
print QD 543 S6629 Reference (v.2-65 incomplete)
print v.66- in JPCRD, Journal Stacks
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. Selected later volumes are included in the IUPAC-NIST Solubility Database.

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

SpringerMaterials
see Landolt-Börnstein above.

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

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

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)

Thermophysical properties of matter. critical
print QC 173.397 P87 1970 Reference (IFI/Plenum, 1970-79)
e-book TPMD U.T. restricted
Covers thermal conductivity, specific heat, thermal expansion, thermal radiation, and viscosity for elements, metals, alloys, and nonmetallic solids, liquids, and gases.

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.