Computational fluid dynamics simulation is used to predict transient and time-averaged flame temperatures and species concentrations of an n-hexane pool flame. Employing a combination of an assumed probability density function approach with laminar flamelets using detailed kinetic data and large eddy simulation with Smagorinsky submodel is shown to be a promising way in modeling pool and tank fires. The measured species concentration and flame temperature profiles from gas chromatography, thermocouple measurements and holographic interferometry are used to validate the submodels for CFD simulation of pool flames.