• The tendency to overbind is typically more pronounced when using different flavours of non-local van der Waals density functionals (vdW-DF). • Similar trends are observed for other molecules like acetylene, ethylene, and CO2. It is, however, also worth noting that acceptable agreement of PBE-D2 adsorption energies with experimental values was observed for methanol, ethanol, and propanol in MFI-type zeolites, and that revPBE-D3 performed very well for H2O adsorption energies in CHA-type zeolites. Studies comparing adsorption energies of functional organic molecules in zeolites are rarer, and typically include a smaller number of DFT approaches. In this context, it is worth noting that the validation of DFT calculations dealing with larger molecules faces additional challenges: On the one hand, comparisons to experimental adsorption enthalpies (where available) are much less straightforward for molecules adsorbed from the liquid phase as compared to gases. On the other hand, higher-level reference calculations require larger model systems (supercells of zeolite unit cells to avoid overlap of a molecule with its images or large clusters cut out from the zeolite structure), quickly becoming computationally very demanding.