Empirical correlations for diffusivity and the partition coefficient for phthalates in PVC materials and modelling emissions of automotive sealants

Polyvinylchloride (PVC) based sealants commonly contain phthalate plasticizers that are emitted into the air over time. The low volatility classifies them as Semi-Volatile Organic Compounds (SVOCs). Empirical relationships are determined for estimation of the diffusion and solid/air partition coefficients for phthalates in PVC materials using data compiled from studies of phthalates in other PVC materials, such as vinyl flooring. The relationships are functions of vapor pressure of the compounds, which are determined from a Clausius-Clapeyron equation. A test chamber was constructed to continuously sample the air and measure the air concentration based on a Solid Phase MicroExtraction (SPME) method. The partition coefficient was tested with dioctyl terephthalate (DOTP) in a PVC-based sealant, in which the results fell within the reasonable error of the value predicted from the empirical relationship. The model is applied to outdoor and manufacturing scenarios to evaluate the effect of temperature and mass transfer coefficient.