The recent developments of Carbon Nanotubes (CNTs) are of vital importance for nanothermal and nanofluids applications, such as heat sinks and desalination membranes. Due to their significance, it is needed to investigate their properties accurately with modeling and experimental techniques. When it comes to heat transfer, it is fundamental to interpret the role of the Thermal Boundary Resistance (TBR) and the vibrational properties of the system. Moreover, considering Carbon Nanotubes in a water solution, the effect of nanoconfined water formed at their boundary is believed to be relevant in both energy and mass transfer phenomena. In this work, it is reported an investigation of the thermal behavior of Carbon Nanotubes in an aqueous solution by means of Molecular Dynamics simulations and the early results of Pump and Probe spectroscopy.