Extended molecular connectivity: Prediction of boiling points of alkanes

It is shown that extended molecular connectivity may be used for “structure-property” studies. The statistical parameters of the correlation relations of boiling points with extended molecular connectivity indices found for a sample of alkanes (n = 74) are the following: the best two-parameter correlation r = 0.9948, s = 4.7; the best three-parameter correlation r = 0.9971, s = 3.5. Translated fromZhurnal Strukturnoi Khimii, Vol. 38, No. 6, pp. 1154–1159, November–December, 1997.