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EC number: 216-600-2
CAS number: 1623-05-8
No change in rate coefficient in going from 50 to 200 Torr (at 298±1K)
indicating that the high-pressure limit is already reached at 50 Torr of
nitrogen. There is an inverse relationship of rate constant with
temperature as described by a simple Arrhenius expression of the form
k(T) = (4.88 ± 0.49) x 10-13 exp[(564± 10)/T] for
experiments in nitrogen.
Reaction of PPVE with hydroxyl radical (*OH) was measured using an
absolute method, with laser excitation of precursor to form *OH. PPVE
concentration was far in excess of *OH, allowing the reaction to be
considered pseudo-first order in *OH concentration. Disappearance of *OH
was used to monitor extent of reaction. *OH concentration was measured
using laser fluorescence at 282 nm, while concentration of PPVE was
measured in a downstream UV absorbance cell at 184.95 nm. Rate constants
at a given temperature was determined as the slope of rate of *OH loss
v. PPVE concentration. Reactions were conducted over a temperature range
from 212K to 298K and at pressures of 50 or 200 Torr. No difference was
observed at either pressure, indicated that the reaction was already at
its high-pressure limit at 50 Torr. The reaction had an inverse
relationship with temperature as described by a simple Arrhenius
expression of the form k(T) = (4.88 ± 0.49) x 10-13exp[(564±
10)/T] for experiments in nitrogen. The rate constant as measured at
293K is 3.36E-12 cm³/molecule∙s may be used to estimate a pseudo-first
order rate constant is 0.145/day and estimated DT50 is 4.8 days.
The study was well-documented and conducted according to generally
accepted scientific principles. However, as a scientific publication
full details are lacking, and the study was not conducted under GLP. It
is considered reliable with acceptable restriction, and is suitable for
Risk Assessment, Classification & Labeling, and PBT Analysis.
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