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Diss Factsheets

Administrative data

Endpoint:
Henry's law constant
Type of information:
(Q)SAR
Adequacy of study:
supporting study
Reliability:
2 (reliable with restrictions)
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Reference
Reference Type:
other: (Q)SAR
Title:
EPIWEB 4.11
Author:
Environmental Protection Agency (US)
Year:
2012
Bibliographic source:
HENRYWIN (v3.20) Program

Materials and methods

Test guideline
Guideline:
other: REACH Guidance on (Q)SAR
Principles of method if other than guideline:
(Q)SAR

Test material

Constituent 1
Chemical structure
Reference substance name:
2-morpholinoethanol
EC Number:
210-734-5
EC Name:
2-morpholinoethanol
Cas Number:
622-40-2
Molecular formula:
C6H13NO2
IUPAC Name:
2-morpholinoethanol
Constituent 2
Reference substance name:
O(CCN(C1)CCO)C1
IUPAC Name:
O(CCN(C1)CCO)C1

Results and discussion

Henry's Law constant Hopen allclose all
H:
0 Pa m³/mol
Temp.:
25 °C
Remarks on result:
other: Bon estimation method
H:
0 Pa m³/mol
Remarks on result:
other: Group estimation method

Any other information on results incl. tables

HENRYWIN (v3.20) Program Results:

See attachment in Attached background material for more details.

Applicant's summary and conclusion

Conclusions:
HENRYs LAW CONSTANT at 25 deg C = 1.23E-006 Pa-m3/mole (BOND ESTIMATION METHOD for LWAPC VALUE)
HENRYs LAW CONSTANT at 25 deg C = 3.19E-008 Pa-m3/mole (GROUP ESTIMATION METHOD for LOG GAMMA VALUE)

Averaged value: x.xxxE-003 Pa-m3/mole

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