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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Physical & Chemical properties

Water solubility

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Administrative data

Endpoint:
water solubility
Type of information:
(Q)SAR
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Justification for type of information:
The water solubility is calculated by a generally accepted QSAR model the EPA WATERNT v1.01

Data source

Reference
Reference Type:
other company data
Title:
Unnamed
Year:
2017
Report date:
2017

Materials and methods

Test guideline
Qualifier:
no guideline followed
Principles of method if other than guideline:
The water solubility is calculated by a generally accepted QSAR model the EPA WATERNT v1.01
Type of method:
other: calculated with EPI Suite 4.10 (WATERNT (v1.01)

Test material

Constituent 1
Chemical structure
Reference substance name:
3-(isodecyloxy)propiononitrile
EC Number:
264-840-1
EC Name:
3-(isodecyloxy)propiononitrile
Cas Number:
64354-92-3
Molecular formula:
C13H25NO
IUPAC Name:
3-(decylalkyl-(branched)oxy)-propiononitrile

Results and discussion

Water solubility
Water solubility:
9.2 mg/L
Temp.:
25 °C
Remarks on result:
other: calculated with EPI Suite 4.11 (WSKOWWIN (v1.42

Applicant's summary and conclusion

Conclusions:
Due to calculated with EPI Suite 4.10 (WATERNT (v1.01)) the water solubility of the substance is 9mg/l (25°C).
Executive summary:

Due to calculated with EPI Suite 4.10 (WSKOWWINv1.42 the water solubility of the substance is 9mg/l (25°C).