physical properties



Chemical Properties

Aldrich Database of Properties for Molecular Sieves

Sheffield ChemPuter

Chemical Calculations

Bond Strengths

Bond Lengths in Organic Compounds as Determined by X-ray and Neutron Diffraction



WebElements Periodic Table

Dave Evans' pKa Tables [PDF]

Collection of Useful Data Tables

Vapor Pressure Applet

Organic Chemistry Resources (from Reich at Wisconsin)

Physiochemical Properties of Liquids

CRC Handbook

physical prop,

  • Acoustic Material Property Tables
  • Acoustic Property Reference Tables
  • AgDB
  • Agriculture Network Information Center)
  • The Agricultural Genome Information Servers
  • Amino Acid Properties
  • Atmospheric Chemistry Data
  • Atomic and Molecular Core-Edge Excitation Database
  • Atomic scattering factors for the elements
  • National Library of MedicineToxicology and AIDS Search
  • BMCD (Biological Macromolecule Crystallization Database and the NASA Archive for Protein Crystal Growth Data)
  • Biocatalysis/ Biodegradation Database
  • Biodegradation data for chlorinated benzenes and phenols
  • BioSupplyNet
  • Brookhaven Protein Database
  • Cambridge Structural Database (CSD)
  • Carcinogenic Potency Database
  • Ceramic Materials Database
  • ChemFinder Searching
  • Chemical Patents Plus
  • Chemistry Conferences (always up to date)
  • Chemistry and Materials
  • Chemistry Database Service and SEQNET (Daresbury Laboratory)
  • ChemKey Search Database (References for synthetic methods, heterocycles, reactive intermediates, organometallic chemistry, photochemistry, stereochemistry, theory, asymmetric synthesis)
  • COPA's PCB Information Service
  • CORINAUniv. Erlangen, generate 3D structures (xyz, pdb, ...) from 2D structures online (from Java structure drawing program or SMILES)
  • CPDB (Berkeley Carcinogenic Potency Database Project at Berkeley)
  • CRISPComputer Retrieval of Information on Scientific Projects (NIH, FDA, CDCP, ...)
  • Crystallography: Molecular Structure Center
  • Cutaneous Drug Reaction Database
  • DAIN Metadatabase of Internet Resources for Environmental Chemicals
  • Database on Conducting Polymers
  • Drug Data Base with UV data
  • Drug Database
  • Electron Binding Energies
  • Enhanced NCI Database Browser: search a database of over 250.000 compounds online
  • Enzyme Classification
  • ERDEC Safety, Material Safety Data Sheets for Chemical Warfare Agents
  • ExPASy
  • EXTOXNET (EXtension TOXicology NETwork)
  • FEDIXFederal Funding Database
  • FlavorNet
  • Food Additives
  • Fullerene Database (Once you're in system, select "Indexes to Journal and Magazine Articles" and then the Fullerene Database)
  • Fisher Scientific Chemical Catalog
  • Fullerene Database login: sabio - select: other databases and remote libraries - select Buckballs database
  • Fundamental Physical Constants (A tabulation of the 1986 CODATA Recommended Values of the Fundamental Physical Constants)
  • GDCh-BMFT-Projekt Endnutzerfoerderung Chemiedatenbanken
  • Genome Data Base
  • Genome Sequence Data Base
  • Hazardous Chemistry Database
  • H&S Chemical Co., Inc.
  • Heavy Metal Toxicology
  • Henry's Law Coefficients
  • Integrated Spectral Data Base System for Organic Compounds over 50000 compounds
  • JICST Mass Spectral Database
  • Klotho (Biochemical Compounds Declarative Database)
  • KR Science Base
  • LiqCryst
  • MedAccess Chemical Summaries
  • MedChem/Biobyte WWW Server (This server is maintained by the Medcinal Chemistry Project as a service to the chemistry community and by BioByte Corp. to provide information about its products. Includes: MedChem Names Database - Over 30,000 compounds. QSAR Database - 6,000 datasets; physical and biological systems)
  • MicroPatent Web Services (PatentWEB)
  • MOGADOC (MOlecular GAsphase DOCumentation) DatabaseMOGADOC (MOlecular GAsphase DOCumentation) Database
  • Molecular Models (over 1000 PDBs)(Okanagan University College )
  • MSDSs Aaterial Safety Data Sheets at A forms-searchable database of MSDS entries in the Enviro-Net Material Safety Data Sheet Index. Manual searching is supported also.
  • MSDSs for Dojindo products
  • MSDS at Tachyon Communications Over 50,000 files from government publications or the Internet are found here.
  • MSDSs (Gopher)
  • MSDS at the University of Utah An archive of unlicensed/unrestricted publicly destributable Material Safety Data Sheets (MSDS) in ASCII text file format. The text files are given the common or product name of the mate rial. (Gopher)
  • NCI Drug Information System Database
  • Enhanced NCI Database Browser
  • NDB (Nucleic Acid Data Bank at Rutgers University and a mirror at the European Bioinformatics Institute)
  • NIH GenoBase Database Gateway
  • NIST Atomic Spectroscopic Database
  • NIST Chemistry WebBook (Provides thermodynamic and ion energetics data complied by NIST under the Standard Reference Data Program)
  • NIST CKMech (Molecular Species Data, Chemical Reaction Data, Literature Citations and Chemical Kinetic Mechanisms)
  • NSF Award Search Form
  • NTP Chemical Health and Safety Data
  • Organic Compounds Database (Compiled by Harold M. Bell at Virginia Tech)
  • ProDom (Protein Domain Database)
  • Prot-Web (A Collection of Protein Databases)
  • Properties of 200 linear macromolecules and small molecules
  • Protein Domain Families Database
  • RNA Modification Database
  • SCAN (Selected Current Aerospace Notices), covers e.g. Chemistry and Materials and Life Sciences
  • SciQuest SciQuest is a scientific search engine and communications tool for scientists
  • SCOP (Structural Classification of Proteins) The SCOP database aims to provide a detailed, comprehensive description of the structural and evolutionary relationships between all proteins whose structures are known. Mirror: and
  • SEQNET Database Server
  • STN International (Databases in Science, Technology, Patents, and Business)
  • STN Database Summary Sheets.
  • STO's Internet Patent Search System
  • SWISS-PROT protein sequence database
  • Tetrahedron Information System
  • TRIAGE Chemical Studies Database
  • TORVS (Univ. Erlangen)
  • WebElements and the Periodic Table
  • WebSketch (Search Facilities through a Java Applet from Tripos)
  • WWW Chemical Structures Database: Hier sorgt ein sogenannter Agent dafür, daß nach den Angaben des Benutzers (CAS - Nummer, Summenformel, Name oder Gewicht) das gesamte WWW nach dieser Substanz abgesucht wird. Zurückgegeben wird eine Auswahl an Plätzen im Internet, von wo man sich dann die entsprechende *.mol oder *.pdb Datei laden kann.
  • Woordenboek Dutch - English Dictionary Organic Chemistry
  • XPS Data Tables (BE, FWHM, Auger KE
  • X-ray crystallography database with molecular viewer applet (John Huffman)
  • X-Ray Emission Lines
  • X-Ray Interactions with Matter

  •  click on names belowPhysico-Chemical Properties

    Boiling Point

    Melting Point

    pKa and pKb


    Optical Rotation





    ·         Acid dissociation constant

    ·         A guide to Log P and pKa measurements and their use


    ·         D. Evans pKa and pKb Table

    ·         Bordwell pKa and pKb Table

    ·         R. Williams pKa and pKb Table

    ·         Acidity-Basicity Data (pKa Values) in Nonaqueous Solvents


    ·         SPARC

    ·         ChemAxon pKa Plugin

    ·         ACD/pKa DB

    ·         pKalc


    ·         pH calculation + virtual titration + acid-base titration curve data analysis + distribution diagram generation + pKa database

    Optical Rotation

    ·         Optical rotation (Wikipedia)

    ·         Polarimetry (Wikipedia)


    ·         Optical Activity Limited

    NIST Chemistry WebBook

    CS ChemFinder

    Boiling Point

    ·         Boiling Point Calculator

    ·         ACD/Boiling Point


    ·         Solubility (Wikipedia)

    ·         Solubility Table (Wikipedia)

    ·         IUPAC-NIST Solubility Database

    ·         ACD/Solubility DB


    Melting Point

    ·         Barloworld Scientific Ltd

    ·         Buchi Labortechnik AG

    o    B-540 (Manual)

    o    B-545 (Automatic)