International Journal of Applied Research
Vol. 1, Issue 10, Part B (2015)
Thermochemistry of Bio-molecules
In living organism the biomolecule named as steroids are synthesized. Low reactivity of steroids complicates their metabolism. In such cases, researchers use the theoretical calculation of heat of combustion of biomolecules. On the basis of the known experimental heats of combustions of the seventeen alkanes in condensed state, the general equation ΔcombH = i + f (N-g) has been deduced, in which i and f are correlation coefficients, N and g are a numbers of valence electrons and lone electron pairs of heteroatoms in molecule. The presented dependence has been used for the calculation of the heats of combustion of thirteen organic molecules with biochemical properties: holestan, cholesterol, methyl-cholesterol, ergosterol, vitamin-D2, estradiol, androstenone, testosterone, and rostanedione, morphine, morphinanone, codeine and pentasozine. It is noted that good convergence was obtained within the limits of errors of thermochemical experiments known in theliterature and calculations of the heats of combustion for some of them were conducted. With the application of Hess law and the heats of vaporization, ΔvapH which has been calculated with the use of a topological salvation index of the first order ('x'), the heats of formation (ΔfH) for condensed and gaseous phases were calculated for the listed bioorganic molecules.
How to cite this article:
Anupama. Thermochemistry of Bio-molecules. Int J Appl Res 2015;1(10):128-131.