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EC number: 205-617-0
CAS number: 144-15-0
Calculation with HENRYWIN v3.20 (EPIWIN software by US-EPA): 1.15E-3 Pa*m³/mol
The Henry's Law Constant was calculated with
the computer program HENRYWIN (v3.20) made available by the U.S.
Environmental Protection Agency. This program estimates the Henry's Law
Constant of organic compounds at 25°C by two separate methods that yield
two separate estimates. The first method is the Bond Contribution Method
and the second is the Group Contribution Method. The Bond Method is able
to estimate many more types of structures than the Group Method because
it has a more extensive library of bond contribution values. Further,
the bond method includes individual hydrogen bond values; the group
method does not. Both the Group Method and Bond Method are susceptible
to estimates resulting in "Missing Fragments". When a compound is split
into groups or bonds, one or more of the resulting groups or bonds may
not have a value in the library of available values. The Group Method is
much more likely to have a "Missing Fragment" occurrence (meaning an HLC
estimate is not possible), as in this case: The Group Method showed an
“incomplete Result”, using the Bond Method a Henry´s Law Constant of
1.15E-003 Pa*m3*mol-1 was calculated for the substance
tris(2-ethylhexyl) 2-(acetyloxy)propane-1,2,3-tricarboxylate at 25 °C.
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