The interactions between the emission of Volatile Organic Compounds (VOCs) and airflow play a key role in determining indoor pollutant concentrations. In the framework of Indoor Air Quality (IAQ) prediction, numerical models based on fluid dynamics are useful tools to address typical cases and then make decisions to improve both public and occupational health. This requires an accurate description of VOC emission processes from building materials, products and furniture, taking into account the diffusion of VOCs into these materials instead of using constant surface emission rates. A predictive model combining Computational Fluid Dynamics (CFD) for airflow and kinetics modelling for VOC emissions is described. The validation of airflow and VOC transfer models is carried out by comparing experimental and simulation results into a 128 L ventilated experimental chamber. Our results show that the Reynolds-Averaged Navier Stokes (RANS) approach, together with a standard k-ω turbulence model, provide good agreement between numerical and experimental airflows regarding both air velocity and age of air profiles. The overall VOC dynamics is also reproduced by numerical simulation for the eight VOCs monitored. The predicted absolute VOC concentrations are in agreement with experimental data for acetone, formaldehyde, hexanal and terpenes. However, numerical simulations underestimate the concentration of pentanal, propanal, butanal, acetaldehyde, which is discussed in terms of representativeness of emission parameters. Our results highlight that CFD simulations combined with VOC emission kinetics modelling is a promising tool for IAQ prediction, but it requires further investigation to fully understand the observed behaviour for some VOCs. This finally demonstrates the crucial need of tracking various VOCs simultaneously in the framework of assessing an IAQ prediction model.