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Administrative data

Endpoint:
Henry's law constant
Type of information:
calculation (if not (Q)SAR)
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Scientifically accepted calculation method

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2010
Report date:
2010

Materials and methods

Principles of method if other than guideline:
Calculation tool by US-EPA (EPIWIN software: HENRYWIN Program v3.20)
GLP compliance:
no
Remarks:
not applicable

Test material

Constituent 1
Chemical structure
Reference substance name:
Diallyl 2,2'-oxydiethyl dicarbonate
EC Number:
205-528-7
EC Name:
Diallyl 2,2'-oxydiethyl dicarbonate
Cas Number:
142-22-3
Molecular formula:
C12H18O7
IUPAC Name:
3-({[2-(2-{[(prop-2-en-1-yloxy)carbonyl]oxy}ethoxy)ethoxy]carbonyl}oxy)prop-1-ene

Results and discussion

Henry's Law constant H
H:
0.019 Pa m³/mol
Temp.:
25 °C
Remarks on result:
other: atmospheric pressure is assumed

Applicant's summary and conclusion

Conclusions:
Using the Bond Method of the computer program HENRYWIN from US-EPA a Henry´s Law Constant of 1.88 E-002 Pa*m3*mol-1 was calculated for the active substance Diallyl-2,2`-oxydiethyl dicarbonate at 25 °C.
Executive summary:

The distribution of Diallyl-2,2`-oxydiethyl dicarbonate between aqueous solutions and air was determined by calculation. The Henry´s Law Constant of the active substance was calculated based on QSAR methods using the computer program from US-EPA (EPIWIN software: HENRYWIN Program v3.20).

Using the Bond Method of the computer program HENRYWIN from US-EPA a Henry´s Law Constant of 1.88 E-002 Pa*m3*mol-1was calculated for the active substance Diallyl-2,2`-oxydiethyl dicarbonate at 25 °C.