Nickel bis(dibutyldithiocarbamate)

Vapour pressure

Link to relevant study record(s)

Reference

Endpoint:

vapour pressure

Type of information:

(Q)SAR

Adequacy of study:

key 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:

The QSAR Model Reporting Format (QMRF) and the corresponding QSAR Prediction Reporting Format (QPRF) are attached to this IUCLID record.

Qualifier:

no guideline followed

Principles of method if other than guideline:

The model used (MPBPWIN v1.43 - EpiSuite) is scientifically valid (providing separate results based upon the Antoine, Grain, Modified Grain and Mackay methods) and is recommended for the regulatory endpoint by the ECHA guidance document R.7a: Endpoint specific guidance, Section R.7.1.5.4.

GLP compliance:

no

Type of method:

other: QSAR estimation (Modified Grain method)

Specific details on test material used for the study:

- SMILES: [Ni](SC(=S)N(CCCC)CCCC)SC(=S)N(CCCC)CCCC
- Boiling point: 521.96 °C (predicted)
- Melting point: 87.5 °C (user-entered)

Key result

Temp.:

25 °C

Vapour pressure:

0.001 mm Hg

Remarks on result:

other: calculated (Modified-Grain Method)

APPLICABILITY DOMAIN (OECD Principle 3)

The substance falls within the application domain of the model, but one atom was not parameterized in the training set of the boiling point prediction module. No structural analogues were identified.

Description of key information

Using MPBPWIN v1.43, the vapour pressure was estimated to be 0.000605 mm Hg (0.0807 Pa) by the Modified Grain Method.

Key value for chemical safety assessment

Vapour pressure:

0.081 Pa

at the temperature of:

25 °C