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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

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Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
data from handbook or collection of data
Qualifier:
no guideline followed
Principles of method if other than guideline:
The data is from CRC Handbook of Chemicals.
Type of method:
flask method
Key result
Water solubility:
ca. 130 mg/L
Conc. based on:
test mat.
Temp.:
20 °C
pH:
ca. 7
Conclusions:
The water solubility of the substance is ca 130 mg/L.
Executive summary:

The water solubility of the substance is ca 130 mg/L.

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
EpiSuite 4.11
2. MODEL (incl. version number)
WSKOW v1.42
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
c1cc(ccc1N=C(=O))N=C=O
Qualifier:
no guideline available
Principles of method if other than guideline:
- Software tool(s) used including version: EpiSuite 4.11
- Model(s) used: WSKOW v1.42
- Model description: see field 'Justification for non-standard information', 'Attached justification' and/or 'Cross-reference'
- Justification of QSAR prediction: see field 'Justification for type of information', 'Attached justification' and/or 'Cross-reference'
GLP compliance:
not specified
Type of method:
other: estimate from LogKow
Key result
Water solubility:
ca. 128.2 mg/L
Conc. based on:
not specified
Temp.:
25 °C
Conclusions:
According to EpiSuite 4.11s Water solubility estimate from LogKow (WSKOW v1.42) the water solubility of the substnace at 25 °C is 128.2 mg/L.
Executive summary:

According to EpiSuite 4.11s Water solubility estimate from LogKow (WSKOW v1.42) the water solubility of the substnace at 25 °C is 128.2 mg/L.

Description of key information

The water solubility of the substance is ca 130 mg/L.

Key value for chemical safety assessment

Water solubility:
130 mg/L
at the temperature of:
20 °C

Additional information

The water solubility of the substance is ca 130 mg/L.