alcohol {RobStatTM}

Alcohol data

Description

This data set contains physicochemical characteristics of 44 aliphatic alcohols. The aim of the experiment was the prediction of the solubility on the basis of molecular descriptors.

Usage

data(alcohol)

Format

An object of class "data.frame".

Details

Format: 44 cases and 7 continuous variables. The columns are: 1. SAG=solvent accessible surface-bounded molecular volume 2. V=volume 3. log PC (PC=octanol–water partitions coefficient) 4. P=polarizability 5. RM=molar refractivity 6. Mass 7. log(Solubility) (response)

Source

Romanelli, G.P., Martino, C.M. and Castro, E.A. (2001), Modeling the solubility of aliphatic alcohols via molecular descriptors, Journal of the Chemical Society of Pakistan, 23, 195-199.

Examples

data(alcohol)