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EC number: 412-570-1
CAS number: 119462-56-5
The QSAR determination of the Henry's Law Constant for 1,3-bis(3-methyl-2,5-dioxo-1H-pyrrolinylmethyl)benzene using the model HENRYWIN included in the Estimation Program Interface (EPI) Suite v4.11 revealed a value of 3.67E-014 Pa*m³/mol at 25 °C for the unaffected molecule of the substance as any decomposition (e.g. hydrolysis) of the substance is not taken into account by the program.
Should read: <0.000000001
The HLC was estimated to be
Bond estimation method:
HLC = 3.67E-014 Pa-m3/mole
HLC = 3.62E-019 atm-m3/mole
HLC = 1.48E-17
The bond method was chosen for this estimation instead of the group
method because an independent evaluation of Altschuh et al. (1999) for a
diverse set of organic chemicals found the bond method more accurate
than the group method.
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