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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Administrative data

Endpoint:
water solubility
Type of information:
(Q)SAR
Adequacy of study:
supporting study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
Justification for type of information:
1. SOFTWARE: EPI-Suite, EPA (USA) v 4.11

2. MODEL (incl. version number): WSKOW v1.42

3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL: Oc1ccc(cc1)C(=O)c2ccc(Cl)cc2

Data source

Reference
Reference Type:
other: estimated by calculation
Title:
Unnamed
Year:
2013

Materials and methods

Principles of method if other than guideline:
EPI-Suite WSKOW v1.42
GLP compliance:
no
Type of method:
other: estimated by calculation

Test material

Constituent 1
Chemical structure
Reference substance name:
4-chloro-4'-hydroxybenzophenone
EC Number:
255-627-4
EC Name:
4-chloro-4'-hydroxybenzophenone
Cas Number:
42019-78-3
Molecular formula:
C13H9ClO2
IUPAC Name:
4-(4-chlorobenzoyl)phenol
Details on test material:
- Name of test material (as cited in study report): METHANONE, (4-CHLOROPHENYL)(4-HYDROXYPHENYL)-

Results and discussion

Water solubility
Key result
Water solubility:
166.3 mg/L
Temp.:
25 °C
Remarks on result:
other: log Kow used: 3.31 (estimated) (WSKOW v1.42)

Applicant's summary and conclusion

Conclusions:
Water solubility EPISUITE = 166.3 mg/L at 25 ºC (WSKOW v1.42).
log Kow used: 3.31 (estimated)
Executive summary:

Water solubility EPISUITE = 166.3 mg/L at 25 ºC (WSKOW v1.42).

log Kow used: 3.31 (estimated)