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EC number: 939-253-5
CAS number: 68424-85-1
The molecular weight of the test substance
was calculated to be (73.803/100) x 399.99 + (25.300/100) x 368.04 +
(0.132/100) x 396.09 = 344.6 g/mol.
- Using a vapour pressure of 1.5E-03
Pa = 1.5E-08 atm (at 20°C) determined
during NOTOX project 499392, using a water solubility of 455 g/L =
1.32E03 mol/m3 supplied by the sponsor, the Henry’s law constant of the
test substance was estimated to be <1.1E-11 atm.m3/mol.
- Using a critical micelle concentration of
0.81 g/L = 2.35 mol/m3 supplied by the sponsor, the Henry’s law constant
of the test substance was estimated to be <6.4E-09 atm.m3/mol
(corresponding to 6.4E-04 Pa m3/mol).
If the Henry’s law constant is 3.0E-07
atm.m3/mol, the test substance is less volatile than water and the
concentration will increase when water evaporates. The test substance is
considered essentially non-volatile.
Henry’s law constant of the test substance, C12-16 ADBAC (99.2% active)
was calculated based on the water solubility and the critical micelle
concentration. The estimated HLC based on solubility in water was
calculated to be <1.1E-11 atm-m3/mol or 1.1E-06 Pa m3/moL and the the
HLC based on critical micelle concentration was calculated to be
<6.4E-09 atm-m3/mol or 6.4E-04 Pa m3/moL, respectively. Based on these
calculated values, the test substance was considered to be essentially
non-volatile (Breckelmans, 2012).
HLC values based on CMC and water solubility were calculated to be
6.4E-041 and 1.1E-06 Pa m3/moL at 20°C
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