We study the thermodynamic properties of 10 species from 5 isomeric groups with 3 atoms by providing a comprehensive data set for the molecules of astrophysical importance. Following the initial computation of the partition function q by using the GAUSSIAN 09 suite of programs (Etim and Arunan, 2017), the thermodynamics properties such as the entropy S, internal energy U, free energy F, heat capacity H etc. were derived. We showed that the relation between these properties and temperature at several ranges obeys the laws of thermodynamics despite their independent reactions at different stages of temperature ranging from 0K to 2×106K. The results showed that there exists a good thermodynamic description for the Interstellar region of the universe. © 2022 COSPAR