Estimation of Tm Based on Molecular Similarity

Suppose that the compound s phase at 25°C was of interest. This question would have been answered correctly for all three compounds, although the quantitative estimation of Tm is not very precise. Suppose that the compound s phase at 20°C was of interest. This question would have been answered correctly for cyclopropyl methyl ether and 1,2-cyclopentenophenanthrene, but not for anethol. The magnitude of the interval (7 m)estimated - Timerestl can serve as a confidence measure for binary decision of the foregoing type. If (7 m)estimated interestI is lower than 50°C, a decision as to whether a compound is fluid or solid at interest should not be made based on Tm estimated using the method of Joback and Reid. 

3-Amino-2-naphthoic acid 3-Amino-2-naphthoic acid ethyl ester  

Horvath, A. L., Molecular Design Chemical Structure Generation from the Properties of Pure Organic Compounds, 1992. Amsterdam Elsevier. 

The Dual Melting Curves and Metastability of Carbon Tetrachloride. J. Chem. Phys., 1980 72, 5838-5841. 

The Merck Index An Encyclopedia of Chemicals, Drugs, and Biologicals, 11th ed., 1989. Rahway, NJ Merck and Co., Inc. 

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