86943-35-3Relevant articles and documents
The gas-phase ozonolysis of 1-penten-3-ol, (Z)-2-penten-1-ol and 1-penten-3-one: Kinetics, products and secondary organic aerosol Formation
O'Dwyer,Carey,Healy,Wenger,Picquet-Varrault,Doussin
experimental part, p. 1059 - 1080 (2011/02/17)
The gas-phase ozonolysis of the biogenic unsaturated compounds 1-penten-3-ol, (Z)-2-penten- 1-ol and 1-penten-3-one has been investigated in two atmospheric simulation chambers. The following rate coefficients (in units of 10-17 cm3 molecule-1 s-1) were determined at atmospheric pressure and 293±2 K using an absolute rate method: 1-penten-3-ol, (1.64±0.15); (Z)-2- penten-1-ol, (11.5±0.66); 1-penten-3-one, (1.17±0.15). Reaction products were identified by in situ FTIR spectroscopy and gas chromatography - mass spectrometry (GC-MS). The major products and their average molar yields in the presence of a radical scavenger at relative humidity 1% were: formaldehyde (0.49±0.02), 2-hydroxybutanal (0.46±0.03) and propanal (0.15±0.02) from 1-penten-3-ol; propanal (0.39±0.03) and glycolaldehyde (0.43±0.04) from (Z)-2-penten-1-ol; formaldehyde (0.37±0.02) and 2-oxobutanal (0.49±0.03) from 1-penten-3- one. The formation of secondary organic aerosol was also observed with yields ranging from 0.13-0.17 for the unsaturated alcohols. Significantly lower yields of around 0.03 were measured for 1-penten-3-one. The results of this work are used to determine atmospheric lifetimes and reaction mechanisms for the gas-phase ozonolysis of 1-penten-3-ol, (Z)-2-penten-1-ol and 1- penten-3-one. The broader atmospheric implications of this work are also discussed. by Oldenbourg Wissenschaftsverlag.
Product distributions from the OH radical-induced oxidation of but-1-ene, methyl-substituted but-1-enes and isoprene in NO(x)-free air
Benkelberg,Boge,Seuwen,Warneck
, p. 4029 - 4039 (2007/10/03)
Product distributions resulting from the OH-induced oxidation of but-1-ene, 2-methylbut-1-ene, 3-methylbut-1-ene and isoprene in air were measured in the absence of nitrogen oxides and compared with predictions based on currently accepted oxidation mechanisms. In the case of butenes, the observed distributions of carbonyl compounds, hydroxyketones, hydroxyalkanals and diols were evaluated to obtain probabilities for the initial attack of OH radical on the outer position of the double bond (y = 0.90 ± 0.03 for 2-Me-but-1-ene and y = 0.76 ± 0.05 for both but-1-ene and 3-Me-but-1-ene), for the probability of formation of stable products in the self-reaction of secondary β-hydroxyperoxyl radicals (k(ssb)/k(ss) = 0.29 ± 0.07 for but-1-ene and k(ssb)/k(ss) = 0.19 ± 0.06 for 3-Me-but-1-ene), and for the ratio of the reaction with oxygen vs. decomposition of β-hydroxyalkoxyl radicals, k3[O2]/(k4 + k3[O2]) = 0.25 ± 0.04 for but-1-ene and = 0.38 ± 0.04 for 3-Me-but-1-ene. The last two values disagree with other published data, which suggest a smaller effect of oxygen. The oxidation of isoprene produced methacrolein and methyl vinyl ketone with a ratio 0.93 ± 0.10, the ratio of methyl vinyl ketone and 3-methylfuran was 7.3 ± 1.0. Other products were 1-hydroxy-3-methylbut-3-en-2-one (identified by mass spectrometry) and 3-methyl-3-oxo-butane (tentatively identified). The overall product distribution was complex and could not be fully elucidated. Computer simulations based on several mechanisms applied the relative probabilities for OH addition found for the but-1-enes. Comparison with the experimental data suggests probabilities for OH addition to the methylated double bond of 0.504 ± 0.027 (outer position) and 0.056 ± 0.003 (inner position), and to the non-methylated double bond of 0.335 ± 0.023 (outer position) and 0.105 ± 0.008 (inner position).
