The data set includes source code that implements a PBPK model template that has been extended with features capable of implementing models for volatile organic compounds (VOCs). It also includes data from the U.S. EPA IRIS assessments for DCM (2011) and methanol (2013) and data from Sasso et al. (2013), Ramsey and Andersen (1984), and Yoon et al. (2007) used to show the ability of the template to replicate published VOC PBPK models. The extension of the model template is described in a paper that will be submitted to the journal Toxicological Sciences.