Kinetics of OH- and Cl-initiated oxidation of CH2=CHC(O)O(CH2)2CH3 and CH2=CHCH2C(O)O(CH2)2CH3 and fate of the alkoxy radicals formed

CYNTHIA RIVELA; MARÍA BELÉN BLANCO; MARIANO TERUEL

CHEMICAL PHYSICS LETTERS

ELSEVIER SCIENCE BV

Lugar: Amsterdam; Año: 2016 vol. 652 p. 86 - 92

0009-2614

Rate coefficients of the reactions of OH and Cl radicals with vinyl and allyl butyrate were determined for the first time at 298 K and 1 atm using the relative method to be (in cm3 molecule-1 s-1): k1(OH + CH2=CHC(O)O(CH2)2CH3) = (2.61 +/- 0.31) × 10-11, k2(Cl + CH2=CHC(O)O(CH2)2CH3) = (2.48 +/- 0.89) × 10-10, k3(OH + CH2=CHCH2C(O)O(CH2)2CH3) = (2.89 +/- 0.31) × 10-11, and k4(Cl + CH2=CHCH2C(O)O(CH2)2CH3) = (2.25 +/- 0.96) × 10-10. Reactivity trends and atmospheric lifetimes of esters are presented. Additionally, a product study shown butyric acid and polifunctional products for the reactions of vinyl and allyl butyrate, respectively and general mechanism is proposed.