Skip to Content
Merck
CN
  • OH-initiated photooxidations of 1-pentene and 2-methyl-2-propen-1-ol: mechanism and yields of the primary carbonyl products.

OH-initiated photooxidations of 1-pentene and 2-methyl-2-propen-1-ol: mechanism and yields of the primary carbonyl products.

Chemphyschem : a European journal of chemical physics and physical chemistry (2014-09-05)
Silvina A Peirone, Pablo M Cometto, Silvia I Lane
ABSTRACT

The products of the gas-phase reactions of OH radicals with 1-pentene and 2-methyl-2-propen-1-ol (221MPO) at T=298±2 K and atmospheric pressure were investigated by using a 4500 L atmospheric simulation chamber that was built especially for this work. The molar yield of butyraldehyde was 0.74±0.12 mol for the reaction of 1-pentene. This work provides the first product molar yield determination of formaldehyde (0.82±0.12 mol), 1-hydroxypropan-2-one (0.84±0.13 mol), and methacrolein (0.078±0.012 mol) from the reaction of 221MPO with OH radicals. The mechanism of this reaction is discussed in relation to the experimental results. Additionally, taking into consideration the complex mechanism, the rate coefficients of the reactions of OH with formaldehyde, 1-hydroxypropan-2-one, and methacrolein were derived at atmospheric pressure and T=298±2 K.; the obtained values were (8.9±1.6)×10(-12) , (2.4±1.4)×10(-12) , and (22.9±2.3)×10(-12) cm(3) molecule(-1) s(-1) , respectively.

MATERIALS
Product Number
Brand
Product Description

Supelco
SPME Fiber Assembly, 60 μm PEG, Metal Alloy (1 cm), needle size 23 ga, Autosampler, pk of 3, purple hub
Supelco
SPME Fiber Assembly, 50/30µm DVB/CAR/PDMS, StableFlex (1 cm), needle size 23 ga, Autosampler, pk of 3, plain gray hub
Supelco
SPME Fiber Assembly, 85 μm Polyacrylate, Fused Silica (1 cm), needle size 23 ga, Autosampler, pk of 3, white hub
Sigma-Aldrich
Formaldehyde-12C solution, 20% in H2O, 99.9 atom % 12C
Supelco
SPME Sampling Stand, for use with 15 mL vials
Supelco
SPME Portable Field Sampler, coating CAR/PDMS
Supelco
SPME Fiber Assembly, 50/30µm DVB/CAR/PDMS, StableFlex (2cm), needle size 23 ga, Autosampler, pk of 3, notched gray hub
Supelco
SPME Fiber Assembly, 65 μm PDMS/DVB, StableFlex (1 cm), needle size 23 ga, Autosampler, pk of 3, pink hub
Supelco
SPME Fiber Assembly, 85 μm CAR/PDMS, StableFlex (1 cm), needle size 23 ga, Autosampler, pk of 3, light blue hub
Supelco
SPME Fiber Assembly, 60 μm PEG, Metal Alloy (1 cm), needle size 23 ga, Manual Holder, pk of 3, purple hub
Supelco
SPME Fiber Assembly, 100 μm PDMS, Metal Alloy (1 cm), needle size 23 ga, Autosampler, pk of 1, red hub
Supelco
SPME Fiber Assembly, 65 μm PDMS/DVB, Metal Alloy (1 cm), needle size 23 ga, Autosampler, pk of 1, pink hub
Supelco
SPME Fiber Assembly, 50/30µm DVB/CAR/PDMS, Metal Alloy (1cm), needle size 23 ga, Autosampler, pk of, plain gray hub
Sigma-Aldrich
Formaldehyde solution, meets analytical specification of USP, ≥34.5 wt. %
Supelco
Hydrogen chloride – 2-propanol solution, ~1.25 M HCl (T), derivatization grade (GC derivatization), LiChropur
Supelco
Hydrogen chloride – methanol solution, ~1.25 m HCl (T), derivatization grade (GC derivatization), LiChropur
Supelco
Hydrogen chloride – ethanol solution, ~1.25 M HCl, derivatization grade (GC derivatization), LiChropur
Sigma-Aldrich
Hydrochloric acid solution, ~6 M in H2O, for amino acid analysis
Sigma-Aldrich
Butyraldehyde, purified by redistillation, ≥99.5%
Sigma-Aldrich
Formaldehyde solution, ACS reagent, 37 wt. % in H2O, contains 10-15% Methanol as stabilizer (to prevent polymerization)
Supelco
SPME Fiber Assembly, 50/30µm DVB/CAR/PDMS, StableFlex (2cm), needle size 24 ga, Autosampler, pk of 3, notched gray hub
Supelco
SPME Fiber Assembly, 7 μm PDMS, Fused Silica (1 cm), needle size 24 ga, Autosampler, pk of 3, green hub
Supelco
SPME Fiber Assembly, 50/30µm DVB/CAR/PDMS, StableFlex (1cm), needle size 24 ga, Manual Holder, pk of 3, plain gray hub
Supelco
SPME Fiber Assembly, 7 μm PDMS, Fused Silica (1 cm), needle size 24 ga, Manual Holder, pk of 3, green hub
Supelco
SPME Fiber Assembly, 85 μm CAR/PDMS, StableFlex (1 cm), needle size 24 ga, Autosampler, pk of 3, light blue hub
Supelco
SPME Fiber Assembly, 100 μm PDMS, Fused Silica (1 cm), needle size 23 ga, Manual Holder, pk of 3, red hub
Supelco
SPME Fiber Assembly, 65 μm PDMS/DVB, Fused Silica (1 cm), needle size 23 ga, Autosampler, pk of 3, blue hub
Supelco
SPME Fiber Assembly, 85 μm Polyacrylate, Fused Silica (1 cm), needle size 24 ga, Autosampler, pk of 3, white hub
Supelco
SPME Fiber Assembly, 75 μm CAR/PDMS, Fused Silica (1 cm), needle size 24 ga, Autosampler, pk of 3, black hub
Supelco
SPME Fiber Assembly, 85 μm CAR/PDMS, StableFlex (1 cm), needle size 24 ga, Manual Holder, pk of 3, light blue hub