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Mathematical modeling of skin transport is considered a valuable alternative of in-vitro and in-vivo investigations especially considering ethical and economical questions. Mechanistic diffusion models describe skin transport by solving Fick’s 2nd law of diffusion in time and space; however models relying entirely on a consistent experimental data set are missing. For a two-dimensional model membrane consisting of a biphasic stratum corneum (SC) and a homogeneous epidermal/dermal compartment (DSL) methods are presented to determine all relevant input parameters. The data were generated for flufenamic acid (M_W 281.24g/mol; [Formula: see text] 4.8; pK_a 3.9) and caffeine (M_W 194.2g/mol; [Formula: see text] −0.083; pK_a 1.39) using female abdominal skin. K_lip/don (lipid-donor partition coefficient) was determined in equilibration experiments with human SC lipids. K_cor/lip (corneocyte-lipid) and K_DSL/lip …