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EC number: 201-070-7
CAS number: 77-93-0
Calculation with AOPWIN v1.92 (EPIWIN software by US-EPA), overall gas-phase reaction constant: 7.33 E-12 cm³/molecules-sec (= 0.63 m³/molecules-day), with an half-life of 1.46 d (17.52 h) by assuming a 12 h day with an OH rate constant of 1.5E6 OH/cm³ and 25 °C.
The phototransformation in air was
calculated with the computer program AOPWIN (v1.92a) program made
available by the U.S. Environmental
Protection Agency. This program estimates the rate constant for the
atmospheric, gas-phase reaction between photochemically produced
hydroxyl radicals and organic chemicals. It also estimates the rate
constant for the gas-phase reaction between ozone and
olefinic/acetylenic compounds. The rate constants estimated by the
program are then used to calculate atmospheric half-lives for organic
compounds based upon average atmospheric concentrations of hydroxyl
radicals and ozone. The estimation methods used by AOPWIN are based upon
the structure-activity relationship (SAR) methods. For triethyl citrate
an overall OH rate constant (gas-phase reaction constant) of 7.33 E-12
cm3/molecules-sec and a half-life of 1.46 days (17.521 hours) was
calculated, assuming a 12- hr day with an OH rate constant of 1.5 E6
OH/cm³. Reaction with N, S and –OH is estimated to be 0.14 E-12
cm3/molecules-sec, no ozone reaction is estimated for the compound. The
assumed “Hydrogen Abstraction” gives a value of 7.19 E-12
cm³/molecule-sec, which is almost equal to the overall OH rate constant
of the compound. All calculations were performed supposing a surrounding
temperature of 25 °C. Thus
it can be concluded that the substance will be rapidly degraded in air.
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