Heat of formation of CH3OCH2 radical

The heats of formation of dimethyl ether and dimethyl ether radical have been investigated via ab initio methodology. The heat of formation of dimethyl ether was found to agree with experimental values of both 0 and 298 K (−39.8 and −44.0 kcal mol−1, respectively). The heat of formation of dimethyl ether radical was determined to be 0.9 kcal mol−1 at 298 K. Corresponding literature values range rom −1.3 to −6.9 kcal mol−1, thus demonstrating considerable disagreement. The heat of formation of dimethyl ether radical was determined to be 4.2 kcal mol−1 at 0 K.