The H abstraction reaction mechanism for sevoflurane with an OH radical was investigated theoretically using dual levels B3LYP/6-311++G(d, p)//QCISD(T)/6-311G(d, p). Thermochemistry properties at 298.15-2000 K were analyzed with the standard statistical thermodynamics method. Three pathways P(1), P(2) and P(3) were found and corresponded to the H13, H14 and H15 abstractions reactions with the Gibbs free barriers of 54.86, 55.05 and 54.86 kJ mol(-1), respectively. The corresponding rate constants for three pathways over a wide temperature range of 298.15-2000 K were calculated and the results are in good agreement with the experimental data. (C) 2017 Elsevier B.V. All rights reserved.