Evaluation of Vapor Pressure Estimation Methods for use in Simulating the Dynamic of Atmospheric Organic Aerosols

The modified Mackay (mM), the Grain-Watson (GW), Myrdal and Yalkovsky (MY), Lee and Kesler (LK), and Ambrose-Walton (AW) methods for estimating vapor pressures ($P^{vap}$) are tested against experimental data for a set of volatile orgnanic compounds (VOC). $P^{vap}$ required to determine gas-particle partitioning of such organic compounds are used as a parameter for simulating the dynamic of atmospheric aerosols. Here, we use the structure-property relationships of VOC to estimate $P^{vap}$. The accuracy of each of the aforementioned methods is also assessed for each class of compounds (hydrocarbons, mono-functionalized, di-functionalized, tri- and more functionalized volatile organic species). It is found that the best method for each VOC depends on its functionality.