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EC number: 277-242-0 | CAS number: 73037-34-0
Henry's Law constant
Administrative data
Link to relevant study record(s)
Description of key information
The QSAR determination of the Henry's Law Constant of representative constituents of ditolylether disulfonic acid disodium salt, isomer mixture using the model HENRYWIN included in the Estimation Program Interface (EPI) Suite v4.1 revealed a value of 3.20E-12 Pa m3/mole for sodium salts of disulfonated ditolylether and 1.50E-18 Pa m3/mole for sodium salts of trisulfonated ditolylether.
Ditolylether disulfonic acid disodium salt, isomer mixture is considered as essentially non-volatile from water. Although the representative isomer of the sodium salt of trisulfonated ditolylether exceeds the applicability domain- molecular weight - of the model, the predicted values can be considered reliable yielding a useful result, but for further assessment the Henry's Law Constant of 3.20E-12 Pa m3/mole is used.
Key value for chemical safety assessment
- Henry's law constant (H) (in Pa m³/mol):
- 0
- at the temperature of:
- 25 °C
Additional information
The Henry´s law constant (HLC) of ditolylether disulfonic acid disodium salt, isomer mixture was predicted using the Estimation Program Interface (EPI) Suite version 4.1.
Ditolylether disulfonic acid disodium salt, isomer mixture is an UVCB substance consisting of positional isomers of two basic structures [sodium salts of disulfonated and trisulfonated ditolylether].
Since variations in the positions of the substituents have influence on calculations by the program, the calculations are performed using a representative isomer for each of the basic structures as representative constituents of ditolylether disulfonic acid disodium salt, isomer mixture.
Using the bond method, the estimation revealed a value of 3.20E-12 Pa m3/mole for sodium salts of disulfonated ditolylether and 1.50E-18 Pa m3/mole for sodium salts of trisulfonated ditolylether.
The estimated values for the HLC of the representative constituents of ditolylether disulfonic acid disodium salt, isomer mixture are far below 0.0304 Pa m3/mole and though ditolylether disulfonic acid disodium salt, isomer mixture is considered as essentially non-volatile from water. Although the representative isomer of the sodium salt of trisulfonated ditolylether exceeds the applicability domain- molecular weight - of the model, the predicted values can be considered reliable yielding a useful result, but for further assessment the Henry's Law Constant of 3.20E-12 Pa m3/mole is used.
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