1,4-naphthoquinone

Water solubility

Link to relevant study record(s)

Reference

Reference 1

Endpoint:

water solubility

Type of information:

not specified

Adequacy of study:

weight of evidence

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:

Data detailed in the International Chemical Safety Card (ICSC) for 1,4-Naphthoquinone. These cards are meant as a way of summarising essential information on chemical substances; and were jointly developed by the IPCS and the European Commission.

The cards are then peer-reviewed by a committee consisting of internationally-recognized experts who take into account advice given by manufacturers, workers' representatives and poisons centres.

The use of secondary sources of data is acceptable when they are based on a critical evaluation of peer-reviewed data and a consequent selection of a reliable and representative values for the properties under investigation.

Based on the above information, although full experimental details are unknown, the values presented here are acceptable as they are considered to be from a reliable secondary source of phys chem. data.

GLP compliance:

not specified

Type of method:

other: Unknown method

Water solubility:

3.5 g/L

Conc. based on:

test mat.

Temp.:

25 °C

Remarks on result:

other: pH not detailed

Conclusions:

The test substance water solubility was determined to be 3.5 g/L based on a result taken from peer reviewed handbook data.

Reference 2

Endpoint:

water solubility

Type of information:

not specified

Adequacy of study:

weight of evidence

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: Authoritative database

Qualifier:

no guideline followed

Principles of method if other than guideline:

Data detailed in the SRC Phys-prop database for 1,4-Naphthoquinone. The authoritative database from the SRC Inc. (SRC Physprop database) is regarded as reliable literature source and was taken into account in this weight of evidence approach.

Based on the above information, although full experimental details are unknown, the values presented here are acceptable as they are considered to be from a reliable secondary source of phys chem. data.

GLP compliance:

not specified

Type of method:

other: Unknown method

Water solubility:

667.8 mg/L

Conc. based on:

test mat.

Remarks on result:

other: temperature not detailed

Conclusions:

The test substance water solubility was determined to be 667.8 mg/L based on a result taken from a reliable authoritative database.

Reference 3

Endpoint:

water solubility

Type of information:

other: reliable handbook data

Adequacy of study:

weight of evidence

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 use of secondary sources of data is acceptable when they are based on a critical evaluation of peer-reviewed data and a consequent selection of a reliable and representative values for the properties under investigation.

The introduction to the CRC Chemical Solubility Compendium states that this book represents information obtained from authentic and highly regarded sources. A wide variety of references are listed. Every reasonable effort has been made to give reliable data and information. The values presented here are acceptable as they are considered to be from a reliable secondary source of phys chem. data.

GLP compliance:

not specified

Type of method:

other: Unknown method

Water solubility:

< 1 000 mg/L

Conc. based on:

test mat.

Temp.:

21 °C

Remarks on result:

other: pH not detailed

Conclusions:

The test substance water solubility was determined to be < 1000 mg/L based on a result taken from peer reviewed handbook data.

Reference 4

Endpoint:

water solubility

Type of information:

(Q)SAR

Adequacy of study:

weight of evidence

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

accepted calculation method

Justification for type of information:

Results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification. Full details are located in the QPRF attached in the field: 'attached background material'.

Qualifier:

no guideline followed

Principles of method if other than guideline:

Results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification. Full details are located in the QPRF attached in the field: 'attached background material'.

GLP compliance:

no

Type of method:

other: QSAR result

Water solubility:

>= 307.95 - <= 633.4 mg/L

Conc. based on:

test mat.

Temp.:

25 °C

Remarks on result:

other: Calculated using QSAR (water solubility module of EPISuite)

Conclusions:

The water solubility of the substance is 307.95 to 633.4 mg/L (at 25°C) based on the results of QSAR.

Description of key information

A total of four water solubility values/ranges are available for this substance based on reliable handbook/secondary source/QSAR data. The value of 663.4 mg/L at 25°C has been selected as the key value for chemical safety assessment as a similar value is available from an authoritative database (667.8 mg/L, temperature not specified). This value is also the intermediate value from the data set available. Overall the weight of evidence assessment is considered reliable and adequate to assess the water solubility of the substance.

Key value for chemical safety assessment

Water solubility:

663.4 mg/L

at the temperature of:

25 °C