Abstract��
Randic' carbon atom branch degree (��_i) is revised to be edge (C��C single bond) branch degree (��b_j). On the basis of molecular topological diagram's adjacency matric, an edge branch index (m��b) of cycloalkane has been developed. Correlations among 0��b, the number of carbon atoms(N), the number of biggest ring's member(n_ max), the sum of common carbon atom's number of many rings(n_G), etc. and the boiling points(T_b) of 258 cycloalkanes were examined and the best regression formula was obtained as follows:ln(909-T_b)= 6.661 11- 0.047 59 0��b- 0.016 79N- 0.007 39n_ max+ 0.001 83n_G,R= 0.996 3. The average relative error is 4.12 K, agreeing with the Mihalic's standard about constructing model: R>0.99 and the average error less than 5 K. The estimated results are better than those of Joback's group adding method.
FENG Chang-jun, MU Lai-long.Relativity of Edge Branch Index with the Boiling Points of Cycloalkanes[J]. Chemcial Industry and Engineering, 2005,22(5): 338-341
2005, Vol. 22 
