A simple method for estimation of the 2D cluster formation temperature of substituted alkanes at the air/water interface

► A simple method is introduced to estimate the 2D spontaneous clusterization temperature. ► Substituted alkanes are studied using the quantum chemical semiempirical PM3 method. ► An equation is derived to estimate for the temperature of the spontaneous clusterization threshold. ► Alkyl chain elongation by two CH2 units corresponds to a subphase temperature reduction by 10-20 K.