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Diss Factsheets

Administrative data

Endpoint:
Henry's law constant
Type of information:
(Q)SAR
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: see 'Remark'
Remarks:
calculated result with HENRYWIN (v3.10) program by using EPIWIN Suite 4.0 software package of US EPA.The Estimation Programs Interface (EPI) SuiteTM was developed by the US Environmental Protection Agency's Office of Pollution Prevention and Toxics and Syracuse Research Corporation (SRC). Copyright 2000-2008 United States Environmental Protection Agency for EPI SuiteTM and all component programs. Freely available on EPA´s web page.
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Reference
Reference Type:
other: QSAR-method
Title:
Henry's Law constant
Author:
EPI Suite
Year:
2011
Bibliographic source:
calculated result with HENRYWIN (v3.10) program by using EPIWIN Suite 4.0 software package of US EPA

Materials and methods

Principles of method if other than guideline:
calculated result with HENRYWIN (v3.10) program by using EPIWIN Suite 4.0 software package of US EPA
GLP compliance:
no

Test material

Constituent 1
Chemical structure
Reference substance name:
2-ethylhexyl cyanoacetate
EC Number:
236-425-5
EC Name:
2-ethylhexyl cyanoacetate
Cas Number:
13361-34-7
Molecular formula:
C11H19NO2
IUPAC Name:
2-ethylhexyl 2-cyanoacetate

Results and discussion

Henry's Law constant H
H:
0 atm m³/mol
Temp.:
25 °C

Any other information on results incl. tables

calculated result with HENRYWIN (v3.10) program by using EPIWIN Suite 4.0 software package of US EPA

Applicant's summary and conclusion

Conclusions:
result of Henry's Law constant shows 5.29E-007 atm-m3/mole at 25°C (calculated result with HENRYWIN (v3.10) program by using EPIWIN Suite 4.0 software package of US EPA)