In the present paper, we have theoretically predicted thermophysical properties viz. cohesive energy, Debye temperature and specific heat for some nanomaterials. Here we have considered Ag, Cu, Au, W, Co, Mo, Fe, Fe3O4, In, Bi, Pt nanomaterials at different shapes, for examples, nanofilm, nanowire, spherical, regular octahedral, regular hexahedral, and regular tetrahedral shapes of materials. Theoretical works by previous researcher give the validity of our work. In this work, we have also predicted that which shape of nanomaterials have highest value of cohesive energy, Debye temperature and specific heat at a particular size. This theoretical calculation is very useful, where no experimental data is available so far.