Correlations between the Structural Parameters and the Boiling Points and Solubilities of Aliphatic Alcohols
Fan Hong · Journal of Xuzhou Institute of Architectural Technology · 2003
Three structural parameters -Q 1 ,Q 2 ,Q 3 -of the aliphatic alcohols are chosen as the objects of study.Q 1 denotes the number of C atoms,Q 2 the reciprocal of the member of hydroxyl position ,and Q 3 represents 1 minus the sum of the reciprocals of the number of substictuent positions.Relating Q 1 ,Q 2 ,Q 3 to the boiling points and solubilities of aliphatic alcohols,and matching the relations in two regression equations,we have two correlation coefficients of 0.995 7 and 0.981 8.The results of the regression equations reveal that the C atom is the most affectable to the boiling points and the solubilities,the position of the functional group is the second,and the position of the substituent the least,and so we can have very satisfactory characterizations of the structures.This method is easy to do,and the predicted values tally with the tested.