Data have been compiled from the published literature on the partition coefficients of solutes and vapors into chloroform, carbon tetrachloride, dichloromethane and 1-chlorobutane from both water and from the gas phase. The logarithms of the water-to-chloroalkane (log P) and gas-tochloroalkane partition coefficients (log K) are correlated with the Abraham solvation parameter model. The derived correlations describe the observed log P and log K values within standard deviations of about 0.13 to 0.20 log units. For chloroform and carbon tetrachloride, the derived correlations were validated using training set and test set analyses.
Data have been compiled from the published literature on the partition coefficients of solutes and vapors into the anhydrous secondary and branched alcohols (2-propanol, 2-butanol, 2-methyl-1-propanol, 2-methyl-2-propanol and 3-methyl-1-butanol) from both water and from the gas phase. The logarithms of the water-to-alcohol partition coefficients (log P) and gas-toalcohol partition coefficients (log K) were correlated with the Abraham solvation parameter model. The derived correlations described the observed log P and log K values to within average standard deviations of 0.14 and 0.13 log units, respectively. The predictive abilities of the each correlation were assessed by dividing databases into a separate training set and test set.
Data have been compiled from the published literature on the partition coefficients of solutes and vapors into the anhydrous linear alcohols (methanol through 1-heptanol, and 1-decanol) from both water and from the gas phase. The logarithms of the water-to-alcohol partition coefficients (log P) and gas-to-alcohol partition coefficients (log K) were correlated with the Abraham solvation parameter model. The derived correlations described the observed log P and log K values to within average standard deviations of 0.14 and 0.12 log units, respectively. The predictive abilities of the each correlation were assessed by dividing databases into a separate training set and test set.
Gas-to-liquid and water-to-liquid partition coefficients have been compiled for more than 2800 different solute-solvent combinations. Solutes considered include acyclic monofunctional alkanols, dialkyl ethers, alkyl alkanoates and alkanones, as well difunctional alkoxyalcohols.Both sets of partition coefficients were analyzed using the Abraham solvation parameter model with fragment-specific equation coefficients. The derived equations correlated the experimental gas-to-alcohol and water-to-alcohol partition coefficient data to within 0.15 and 0.16 log units, respectively. The fragment-specific equation coefficients that have been calculated for the CH 3 , CH 2 , CH, C, OH, O, C(O)O and C=O fragment groups can be combined to yield expressions capable of predicting the partition coefficients of solutes in other anhydrous alkanol, dialkyl ether, alkyl alkanolate, alkanone and alkoxyalkanol solvents.
Gas-to-alcohol partition coefficients have been compiled for 1880 different solute-alcohol combinations, which comprised 23 acyclic alcohols. These partition coefficients were converted into water-to-alcohol partition coefficients using the corresponding gas-to-water partition coefficients. Both sets of partition coefficients were analyzed using the Abraham solvation parameter model with fragment-specific equation coefficients. The derived equations correlated the experimental gas-to-alcohol and water-to-alcohol partition coefficient data to within 0.14 and 0.15 log units, respectively. The fragment-specific equation coefficients that have been calculated for the CH 3 , CH 2 , CH, C and OH fragment groups can be combined to yield expressions capable of predicting the partition coefficients of solutes in other anhydrous alcohol solvents.2
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