Energies of organic compounds. Final report

Technical Report · Thu May 01 04:00:00 EDT 1986

OSTI ID:5698624

Wiberg, K B

Quantitative measurements of steric effects have been carried out using reaction calorimetry as the experimental tool, and using a series of tetrahedral to trigonal carbon conversions as the systems to be studied. This includes the hydrolysis of ketals, acetals and orthoesters. The experimental observations have been related to the structural changes. A procedure was developed which allows the measurement of the heats of hydration of alkenes, providing information on differences in energy among alkenes as well as heats of formation of alcohols. These and related studies were made possible by the development of automated calorimeters which allow the data to be obtained in a convenient fashion with improved precision. The experimental observations were supplemented by theoretical studies of charge distributions, barriers to rotation, and ground state energies. The ultimate goal is to develop improved methods of predicting the energies and other properties of organic compounds.

• Research Organization: Yale Univ., New Haven, CT (USA). Dept. of Chemistry
• DOE Contract Number: AC02-76ER04060
• OSTI ID: 5698624
• Report Number(s): DOE/ER/04060-1; ON: DE86011709
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400301* -- Organic Chemistry-- Chemical & Physicochemical Properties-- (-1987)
ACETALS
ALKENES
BORANES
BORON COMPOUNDS
CHEMICAL REACTIONS
CYCLOALKENES
DECOMPOSITION
ENTHALPY
ESTERS
ETHERS
HYDRATION
HYDROCARBONS
HYDROLYSIS
KETONES
LYSIS
ORGANIC COMPOUNDS
ORGANIC OXYGEN COMPOUNDS
PHYSICAL PROPERTIES
REACTION HEAT
SOLVATION
SOLVOLYSIS
THERMODYNAMIC PROPERTIES
TRANSITION HEAT
VAPORIZATION HEAT