PPSI

The Physical Properties Sources Index (PPSI) lists recommended databases, handbooks, and websites (data, definition, measurement) for physico-chemical and other material properties.

Physical & Chemical Properties



Top Resources


CRC Handbook of Chemistry and Physics
Searchable and browsable E-Book version of the CRC Handbook of Chemistry and Physics. It includes information on elements, inorganic compounds, organic compounds, physical constants, units and conversion factors, symbols, and nomenclature.

SpringerMaterials
SpringerMaterials is the online database version of the classic resource Landolt-Börnstein, plus the content of additional materials databases. It contains critically assessed physical and chemical data in all areas of physical sciences and engineering.


Additional Resources for Finding Properties


ASM Alloy Phase Diagram Database
Contains more than 40,300 binary and ternary phase diagrams, each with their associated crystal and reaction data. Users can search for phase diagrams either via the database content tree, the element search or the search slot. A video tutorial can be found here.

ChemIDplus
ChemIDplus, from the National Library of Medicine, is a free database of some 400,000 chemical compounds. Records consist of name, synonyms, CAS number, molecular formula, properties, and direct links to biomedical resources.

ChemExper Chemical Directory
The ChemExper Chemical Dictionary contains basic properties and spectra, as well as materials safety data sheets. Data is supplied by users, so, exercise caution when using.

ChemSpider
ChemSpider is a free chemical database with access to more than 26 million structures. Both experimental and calculated properties are available including standard ones like specific gravity; melting, boiling, and flash points; refractive index and solubility; as well as appearance, stability, toxicity and safety data.

Dictionary of Commonly Cited Compounds
Covers basic physical data of boiling and melting points and densities; some spectral and LogP data.

DIPPR Project 801
The Knovelized 2011 edition of DIPPR 801 is a renowned source of evaluated process design data of physical, thermodynamic, and transport properties for industrially important chemicals used in chemical process and equipment design.

Knovel Critical Tables
Interactive tables of physical, solvent, and thermodynamic properties.

Matweb
MatWeb is a searchable database of properties of more than 86,000 materials. Included are property information on thermoplastic and thermoset polymers, metals, ceramics, semiconductors, fibers and other engineering materials.

NIST Chemistry WebBook
The database contains chemical and physical property data compiled by the National Institute of Standards and Technology (NIST). Up to 45 thermochemical, thermophysical, and ion energetics properties are available for over 40,000 compounds.
To browse other NIST databases, visit the NIST Data Gateway, which provides information for over 94 NIST databases including the NIST Chemical Kinetics Database, the NIST Elemental Data Index or the Ceramics Portal. The ACerS-NIST Phase Equilibria Diagrams Database is accessed via Lib4RI's database portal. Note that some other NIST databases might not be freely accessible.

Ullmann's Encyclopedia of Industrial Chemistry
A comprehensive encyclopedia of science and technology as applied to industrial chemistry; includes information on physical and chemical properties.

Wolfram|Alpha: Computational Knowledge Engine
Wolfram|Alpha contains a wide variety of data on many chemical compounds. While the source for this data are listed, you cannot be certain where a particular information came from. However, the sources for individual results can be requested from Wolfram|Alpha via a web form.

Yaws' Handbook of Thermodynamic and Physical Properties of Chemical Compounds
Describes how chemicals behave at different temperatures for 5000 organic chemical compounds covering C1 to C70 organics. All tables in this book are interactive and most contain live equations for easy calculation and plotting of the properties.


Spectra & Spectral Data


MassBank
MassBank is a mass spectral database of experimentally acquired high resolution MS spectra of metabolites. It offers various query methods for standard spectra. The database has very detailed MS data and excellent spectral/structure searching utilities.

NIST Atomic Spectra Database
The Atomic Spectra Database (ASD) contains data for radiative transitions and energy levels in atoms and atomic ions. Data is included for observed transitions of 99 elements and energy levels of 56 elements.

NIST Chemistry WebBook
IR spectra for over 7,500 compounds, Mass spectra for over 10,000 compounds, UV/Vis spectra for over 400 compounds, Electronic and vibrational spectra for over 3000 compounds.

Spectral Database for Organic Compounds (SDBS)
Thousands of IR, 1H-NMR, 13C-NMR, MS, and ESR spectra.

USGS Spectroscopy Lab – Spectral Library
Contains more than 800 UV/Near-IR spectra of minerals, mixtures, artificial, liquids and volatiles and vegetation, each with documentation.

UV/Vis Spectra Data Base
Spectral information (gas, liquid and solid phase from EUV-VUV-UV-Vis-NIR) and related data from published papers. The free database currently contains about 5,700 and data sheets (metadata) for about 900 substances.


Toxicology & Safety


Sax's Dangerous Properties of Industrial Materials combines data on toxicology, flammability, reactivity, explosive potential, and regularity information.

International Chemical Safety Cards (ICSC)
The International Chemical Safety Cards (ICSC) contain essential information for interacting safely with chemical substances at the workplace. Users are also informed about important physical-chemical data and special legal regulations on the individual substances.


Fundamental Physical Constants



Periodic Tables



Crystal Structure


ICSD – Inorganic Crystal Structure Database
The ICSD contains inorganic crystal structures published since 1913, including their atomic coordinates. In particular, the database provides information on structural data of pure elements, minerals, metals, and intermetallic compounds; structural descriptors (Pearson symbol, ANX formula, Wyckoff sequences); bibliographic data; and synthesis conditions.

SDBS – Spectral Database for Organic Compounds
SDBS is an integrated spectral database system for organic compounds, which includes six different types of spectra under a directory of the compounds. The six spectra are as follows: an electron impact Mass spectrum (EI-MS), a Fourier transform infrared spectrum (FT-IR), a 1H nuclear magnetic resonance (NMR) spectrum, a 13C NMR spectrum, a laser Raman spectrum, and an electron spin resonance (ESR) spectrum.



 
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