CVEN 4424/5424 Environmental Organic Chemistry

Web Resources

• Organic Chemistry
  
  UCLA Organic Chemistry Tutorials -- (Tutorials on left menu)  Covers acids and bases, carbocations, electrophiles and nucleophiles, resonance, etc.
   
• Nomenclature
  
  IUPAC Organic Chemistry Nomenclature -- a searchable guide to naming organic compounds.
  SMILESCAS (Syracuse Research Corporation) -- This on-line help outlines the basic rules used to formulate a SMILES (Simplified Molecular Input Line Entry System) notation for a chemical structure, with a page of examples for different types of organic molecules.
  Molecules with Silly Names -- yes, chemists occasionally exhibit a sense of humor.
   
• General Data Bases
  
  Burdick & Jackson Solvent Physical Properties -- chemical properties of organic solvents sold by B&J.
  ChemFinder -- search by chemical name, CAS number, molecular formula, or molecular weight for data including T_m, T_b, specific gravity, and water solubility as well as a long list of links to other databases for each compound.  A commercial site.
  Claessen's Chemistry Index -- access to a wide range of chemistry data bases.
  Cornell Pesticide Management Education Program -- chemical data (especially degradation kinetics) for pesticides.
  Data for General, Inorganic, Organic, and Physical Chemistry -- wide variety of data for a limited number of compounds; Hammett sigma constants.
  Environmental Fate Data Base (Syracuse Research Corporation) -- Provides bibliographies for environmental fate data (DATALOG, CHEMFATE) and microbial toxicity and biodegradation data (BIOLOG).
  NIST Chemistry Webbook -- search by chemical name, etc., for a wide variety of thermodynamic data.
  Organic Compounds Hydration Properties Database -- Data on the thermodynamic properties of neutral organic compounds in water at Arizona State University.
  PhysProp (Syracuse Research Corporation) -- This on-line interactive demo retrieves data from the PhysProp database, containing chemical structures, names and physical properties for over 25,000 compounds.
   
• Vapor Pressure
  
  Davidson University -- Concepts and a Virtual Experiment -- Liquid-gas and solid-gas equilibria are examined and the Claussius-Clapeyron is presented.  The vapor pressure of ethanol is measured at various temperatures. A Claussius-Clapeyron plot is prepared, and the viewer is asked to determine the normal boiling point and standard enthalpy and entropy of vaporization for ethanol.
   
• Octanol-Water Partition Coefficient (and Aqueous Solubility)
  
  ALOGPS (Virtual Computational Chemistry Laboratory) -- An online K_ow and aqueous solubility calculator using neural networks with input by CAS, SMILES, and the JME Molecular Editor; also provides estimates by LogP, CLOGP, LogKow, and XLOGP calculators!
  Interactive LogKow (Syracuse Research Corporation) -- This online interactive demo will calculate K_ow (octanol-water partition coefficient) and retrieve experimental K_ow data from their experimental database of 13,000 compounds.
  LogP (Interactive Analysis) -- An online K_ow and aqueous solubility calculator with input by SMILES and the JME Molecular Editor.
  CLOGP (Daylight Chemical Information Systems) -- Another online Kow calculator with SMILES and GRINS (Graphical Input of SMILES) for input.
   
• Acidity Constants
  
  Acidity Constants for Heteroatom Organic and Carbon Acids -- Organic Chemistry, Michigan State University.
   
• Toxicity
  
  Toxnet -- The National Institutes of Health link to multiple data bases focusing toxicity and carcinogenicity, including summaries of environmental fate and transport.
  Risk Assessment Information System -- toxicity and chemical data for non-radionuclides.
  Toxic Substances Cotnrol Act Submissions Data (TSCATS, Syracuse Research Corporation) -- Collection of toxicity information on technical reports submitted by industry to U.S. EPA under the Toxic Substances Control Act.

Last updated on December 31, 2007