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Water solubility

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Endpoint:
water solubility
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Study period:
not applicable
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:
QSAR prediction: US EPA accepted QSAR method for organic chemicals properties assessment.
Qualifier:
no guideline required
Principles of method if other than guideline:
QSAR method (WSKOW v1.42)
GLP compliance:
no
Remarks:
QSAR method
Type of method:
other: QSAR
Water solubility:
1 000 000 mg/L
Temp.:
25 °C
pH:
7
Remarks on result:
other: WSKOW v1.42

Overview of QSARsestimationsonWater Solubility of Dipotassium oxide/ Potassium oxide

 

 

Method

 

Results

Remarks

Reference

QSAR estimate

                Water Sol: 1e+006 mg/L

 

SMILES : KOK

CHEM  : Potash (potassium oxide)

MOL FOR: O1

MOL WT : 94.20

 

WSKOW v1.42 Results

 

Log Kow (estimated) : -5.08

Log Kow (experimental): not available from database

Log Kow used by Water solubility estimates: -5.08

 

Equation Used to Make Water Sol estimate:

  Log S (mol/L) = 0.796 - 0.854 log Kow - 0.00728 MW + Correction

      (used when Melting Point NOT available)

 

     Correction(s):        Value

     --------------------  -----

      No Applicable Correction Factors

 

  Log Water Solubility (in moles/L) : 4.447

  Log Water Solubility (in moles/L) : 1.026 (Applied Upper Limit)

 Water Solubility at 25 deg C (mg/L): 1e+006

Valid with restrictions (2); QSAR method;

Estimated values

 WSKOW v1.42

 

Conclusions:
Interpretation of results (migrated information): very soluble (> 10000 mg/L)
Substance is predicted by QSAR method (EPI Suite v 4.1/WSKOW v1.42 ) to be very soluble ( 1e+006 mg/l) in water.
Executive summary:

Substance is predicted by QSAR method (EPI Suite v 4.1/WSKOW v1.42 ) to be very soluble ( 1e+006 mg/l) in water.

Endpoint:
water solubility
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Study period:
not applicable
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:
QSAR prediction: US EPA accepted QSAR method for organic chemicals properties assessment.
Qualifier:
no guideline required
Principles of method if other than guideline:
QSAR method
GLP compliance:
no
Remarks:
QSAR method
Type of method:
other: QSAR
Water solubility:
1 000 000 mg/L
Temp.:
25 °C
pH:
7

Overview of QSARs estimations onWater Solubility of Dipotassium oxide/ Potassium oxide

 

Method

 

Results

Remarks

Reference

QSAR estimate

Water Sol (v1.01 est): 1e+006 mg/L

 

SMILES : KOK

CHEM  : Potash (potassium oxide)

MOL FOR: O1

MOL WT : 94.20

 

TYPE | NUM |   WATER SOLUBILITY FRAGMENT DESCRIPTION  | COEFF  | VALUE 

Frag | 1 | -O-    [oxygen, aliphatic attach]       | 1.2746  | 1.2746

 Const |    | Equation Constant                        |              | 0.2492

NOTE |    | Maximum Solubility (1,000,000 mg/L) Applied!        

 

 Log Water Sol (moles/L) at 25 dec C =   1.0260

Water Solubility (mg/L) at 25 dec C =  1e+006

 

Valid with restrictions (2); QSAR method;

Estimated values

WATERNT

(v.1.01)

Conclusions:
Interpretation of results (migrated information): very soluble (> 10000 mg/L)
Substance is predicted by QSAR method to be very soluble ( 1000000 mg/l) with water
Executive summary:

A QSAR method predicts that the substance is very soluble (1000000 mg/l) with water

Description of key information

Substance is predicted by QSAR method to be very soluble ( 1000000 mg/l) with water
Substance is predicted by QSAR method (EPI Suite v 4.1/WSKOW v1.42 ) to be very soluble ( 1e+006 mg/l) in water.

Key value for chemical safety assessment

Water solubility:
1 000 000 mg/L
at the temperature of:
25 °C

Additional information

Substance is predicted by QSAR method to be very soluble ( 1000000 mg/l) with water

Substance is predicted by QSAR method (EPI Suite v 4.1/WSKOW v1.42 ) to be very soluble ( 1e+006 mg/l) in water.