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This paper is focused on the prediction of in-cylinder pressure, temperatures and engine-out NOx. One of the important factors influencing engine output parameters is the rate of heat release, which affects the in-cylinder pressure, temperature and engine out emissions. A single-zone model is formulated for prediction of heat release and in-cylinder pressure. Being a predictive model, this model does not required cylinder pressure as an input. Combustion pressure is predicted by modeling compression pressure, ignition delay, heat release, and heat loss. Required Sub-models have been obtained from the literatures. Fuel burning rate is predicted using Watson model. To retain the computational efficiency and better prediction accuracy a two-zone model has been formulated to predict NOx emissions. Flame temperatures are predicted by enthalpy balance. Thermal NO concentration is predicted by using basic Zeldovich mechanism.