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Physical & Chemical properties

Water solubility

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Reference
Endpoint:
water solubility
Type of information:
(Q)SAR
Adequacy of study:
key study
Study period:
2012
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a (Q)SAR model, with limited documentation / justification, but validity of model and reliability of prediction considered adequate based on a generally acknowledged source
Qualifier:
no guideline available
Principles of method if other than guideline:
Estimated data are obtained from a reliable (Q)SAR program developed and validated by the United States Environmental Protection Agency (U.S. EPA). This program is included in the OECD (Q)SAR Toolbox for use in filling REACH datagaps
GLP compliance:
no
Type of method:
other: not specified
Specific details on test material used for the study:
No test material used.
CAS Number: 34562 -31 -7
SMILES: N(c(ccc1)c1)(C=C(C=C2CC)CC)CC)C2CCC
Key result
Water solubility:
0.053 mg/L
Conc. based on:
test mat.
Incubation duration:
8 h
Temp.:
20 °C
pH:
7
Remarks on result:
other: incubatin and pH not noted
Remarks:
assume neutral pH

CAS Number: 34562 -31 -7

SMILES: N(c(ccc1)c1)(C=C(C=C2CC)CC)CC)C2CCC

CHEM: Pyridine, 3,5 -diethyl-1,2 -dihydro-1 -phenyl-2 -propyl

MOL FOR: C18H25N1

MOL WT: 255.41

SUMMARY MPBVP v1.43

Conclusions:
The water solubility of the substance was estimated to be 0.05323 mg/L using (WSKOW v1.42) of EPI-Suite (v4.11)

Description of key information

0.05323 mg/L (est.)

Key value for chemical safety assessment

Water solubility:
0.053 mg/L
at the temperature of:
25 °C

Additional information

Estimated using (WSKOW v1.42)  of EPI-Suite (v4.11)