| Abstract
| - Two six-descriptor models, each descriptor deriveddirectly from molecular structure, were fitted to thenormal boiling points (Tb) of ethane plus the 52known chlorofluoroethanes by multiple linear regression(s= 2.6 K, R2 = 0.998). Both modelspredict Tb values of 351 ± 2 and 366 ± 2 Kfor unknown 1,1-dichloro-2-fluoroethane and 1,1,1-trichloro-2-fluoroethane, respectively.Several descriptors treat specially the atomsthat remain exterior after X atoms in CH2X groups (X =Cl, F) and H atoms in CHX2 groups attachelectrostatically to identical groups of adjacent molecules.Electrostatic repulsion between opposing CXbonds reduces Tb by 20−30 K for half of thecompounds.
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