Gas to Olive Oil Partition Coefficients: A Linear Free Energy Analysis

@article{Abraham2006GasTO,
  title={Gas to Olive Oil Partition Coefficients: A Linear Free Energy Analysis},
  author={Michael H. Abraham and Adam Ibrahim},
  journal={Journal of chemical information and modeling},
  year={2006},
  volume={46 4},
  pages={1735-41}
}
Literature values of gas to olive oil partition coefficients at 37 degrees C have been assembled for 218 compounds. Application of an Abraham linear free energy equation correlates 215 compounds with R2=0.981 and a standard deviation, SD, of 0.196 log units. One hundred and eight compounds were then used as a training set, and the resulting equation was used to predict the remaining 107 compounds with an average error of 0.025, an absolute average error of 0.150, and a standard deviation of 0… CONTINUE READING

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