Table includes G-qh-tr/n values for the Me3Al hydrolysis reaction ½(n+m) Al2Me6 + n H2O → n,m + 2n CH4 calculated in fluorobenzene medium. This improves upon previous condensedphase thermodynamic stability calculations for the same reaction by incorporating explicit consideration of solvent free volume to better account for reduced entropy in solutions, and quasiharmonic treatment of low-energy vibrational modes. Monomeric MAO (n = 1) can incorporate up to three Me3Al molecules, with 1,3 being the thermodynamic preferred product. Two chain-like isomers of 1,3 exist, distinguished by their oxygen coordination environments (O3-and O4-chains). These exist in Me3Al association/dissociation equilibrium with the 1,2 O3-chain. A similar pattern emerges for the dimer (n = 2), where the thermodynamically favored product is the chain-like 2,4 structure. This species also forms both O3-and O4-chain isomers and exists in equilibrium with its Me3Al dissociation product, the 2,3 O3-chain.