1,5-dinitronaphthalene

Vapour pressure

Administrative data

Endpoint:

vapour pressure

Type of information:

(Q)SAR

Adequacy of study:

key study

Study period:

Not applicable – (Q)SAR analysis using EPIWIN

Reliability:

1 (reliable without restriction)

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:

Melting point is between 200 and 300 degrees C. Therefore it is valid to report a (Q)SAR calculated value for vapour pressure. The results are derived from a valid (Q)SAR model and fall into its applicability domain, with adequate and reliable documentation / justification.
The (Q)SARs models used in this assessment have been evaluated by the Joint Research Centre (JRC) and the scientific validity of each software established according to five principles recommended by OECD and ECHA for regulatory purposes (Annex XI of the REACH).
At present, a summary of appropriate information on the (Q)SAR models, based on the topics listed below, is not available in a specific reporting format.
• • Endpoint, algorithm
• • Domain of applicability
• • Measures related to goodness-of-fit
• • Robustness
• • Predictivity and mechanism


See attached justification for full details.

Data source

Reference

Reference Type:

other company data

Title:

Unnamed

Year:

2017

Report date:

2017

Materials and methods

Test guideline

Qualifier:

no guideline required

Principles of method if other than guideline:

(Q)SAR using EPIWIN suite of calculations - no guideline is applicable.

GLP compliance:

no

Type of method:

other: (Q)SAR using EPIWIN suite of calculations

Test material

Test material information

Constituent 1

Reference substance name:

1,5-dinitronaphthalene

EC Number:

210-095-2

EC Name:

1,5-dinitronaphthalene

Cas Number:

605-71-0

Molecular formula:

C10H6N2O4

IUPAC Name:

1,5-dinitronaphthalene

Test material form:

other: In SIlico

Details on test material:

In silico test item

Specific details on test material used for the study:

Not applicable - in silio study

Results and discussion

Vapour pressure

Key result

Test no.:

#1

Temp.:

ca. 25 °C

Vapour pressure:

ca. 4 other: x10-7 mmHg

Remarks on result:

other: (Q)SAR prediction

Applicant's summary and conclusion

Conclusions:

Vapour pressure estimated by (Q)SAR using EPIWIN suite of calculations was 4e-007 mmHg.

Executive summary:

Vapour pressure estimated by (Q)SAR using EPIWIN suite of calculations was 4e-007 mmHg.