General Equation for Expressing the Physicochemical Properties of Aliphatic Alcohols.

In this work, two general equations were proposed to express the nonlinear and linear changes in physicochemical properties of aliphatic alcohols, involving boiling point, refractive index, critical temperature, critical volume, and so on. The two general equations all are expressed with the same six molecular descriptors. The results show that the linear and nonlinear change properties of aliphatic alcohols have good correlations with the same six molecular descriptors. Using the obtained correlation equations, various properties of aliphatic alcohols without experimental values were predicted, involving 15 normal boiling points, 96 refractive indexes, 105 critical temperatures, 109 critical pressures, 100 liquid densities, 136 heat capacities, 107 critical volumes, and 130 enthalpies of the formation of liquid, a total of 798 values. The relationship between the nonlinear and linear change properties can be deduced by using the obtained general equations, which connect different properties of aliphatic alcohols. In addition, this paper combined the general estimation models used in the properties of aliphatic alcohols and aliphatic primary amines, and then, by taking the boiling point and critical temperature as examples, a general estimation model with good correlation and high prediction accuracy was obtained via adding another two molecular structure characteristic parameters. It is a meaningful exploration for establishing general models for monosubstituted alkane RX compounds with different substituents in the future.