Difluoroethane, thermal decomposition

Johnston and Haynes (1987) demonstrate that the rate constant for the unimolecular, thermal decomposition of a chlorobenzyl methyl ether in 1,1-difluoroethane (P = 113.4°C, Pc = 45.0 bar) can be increased by an order of magnitude with a small change in pressure if the ether is very dilute and the... 

DIFLUOROETHANE or 1,1-DIFLUOROETHANE (75-37-6) Flammable gas (flamma bility limits 3.7-18% by volume in air). Violent reaction with strong oxidizers, barium, sodium, and potassium. Incompatible with powdered aluminum, liquid oxygen, potassium, sodium. May form explosive compounds with divalent light metals and metallic azides. Attacks some metals in the presence of moisture. Undergoes thermal decomposition when exposed to flame or red-hot surfaces. Flow or agitation of substance may generate electrostatic charges due to low conductivity. 

TETRACHLORO-2,2-DIFLUOROETHANE (76-11-9) Reacts, possibly violently, with barium, sodium, and potassium. Violent reaction with molten aluminum, magnesium. Undergoes thermal decomposition when exposed to red-hot surfaces or fire, forming chlorine, hydrogen fluoride or chloride, phosgene, and carbonyl fluoride. Attacks some plastics, rubber, and coatings. 

A theoretical study of the thermal decomposition kinetics of ethyl fluoride 1,1-difluoroethane 1,1,1-trifluoroethane and 1,1,2,2-tetrafluoroethane has been carried out at the B3LYP/6-31-H-G, B3PW91/6-31-H-G, and MP2/6-31-h-hG levels of theory. The calculated data demonstrate that in the HF elimination reaction of the compounds studied, the polarization of the C(l)-F(3) bond is rate determining. Analysis of bond order, charges, bond indexes, and synchronicity parameters suggests that HF elimination occurs through a concerted and asynchronous four-membered cyclic TS type of mechanism. 

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