Graph-theoretical Indices-boiling Point Relationships

Qraph-Theoretical Indices - Boiling Point Relationships Randic et al. [25] have compared several graph-theoretical descriptors and their use in correlation with boiling points of alkanes [25]. Schultz and Schultz [26] reported the following correlation for alkanes (C2-C15)  

Yang et al. [27] introduced the descriptors and Amax, derived from the 

Using the charge index, J2, the following correlation has been reported for alkanols 

The correlation coefficient r increases from 0.705 for the univariate correlation between J2 and Nc to 0.956 for this bivariate correlation. 

For dialkyl ethers (C3-C10), the following model has been derived by Balaban et al. [29]  

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