Afm. Barton et Ar. Knight, DETERMINATION OF COHESION PARAMETERS FOR TERPENOIDS SUCH AS 1,8-CINEOLE USING SEMIEMPIRICAL METHODS AND CALCULATIONS BASED ON GROUP CONTRIBUTIONS, Journal of the Chemical Society. Faraday transactions, 92(5), 1996, pp. 753-755
Citations number
20
Categorie Soggetti
Chemistry Physical","Physics, Atomic, Molecular & Chemical
Methods of estimation of cohesion parameters for terpenoids have been
reviewed, both semi-empirical and group contribution calculations, and
with 1,8-cineole from eucalyptus oil as an example. The various calcu
lated values have been compared with each other and with values determ
ined from experimental measurements, in order to assess the relative r
eliability of estimation methods. The information is required for the
formulation of natural solvent blends to replace traditional hydrocarb
on and chlorinated hydrocarbon solvents. A Hildebrand parameter of 17.
6 MPa(1,2) is the preferred value for 1,8-cineole.