3-amino-N,N,N-trimethylanilinium trichlorozincate(1-)

Vapour pressure

Administrative data

Endpoint:

vapour pressure

Type of information:

(Q)SAR

Adequacy of study:

key study

Study period:

Study period not applicable - (Q)SAR calculation performed using the EIPWIN suite of programs.

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:

2011

Report date:

2011

Materials and methods

Principles of method if other than guideline:

(Q)SAR calculation performed using the EIPWIN suite of programs.

GLP compliance:

no

Test material

Test material information

Constituent 1

Reference substance name:

3-amino-N,N,N-trimethylanilinium trichlorozincate(1-)

Cas Number:

53831-80-4

Molecular formula:

C9H15Cl3N2Zn

IUPAC Name:

3-amino-N,N,N-trimethylanilinium trichlorozincate(1-)

Test material form:

solid: particulate/powder

Specific details on test material used for the study:

Not applicable - in silico calculation

Results and discussion

Vapour pressure

Key result

Test no.:

#1

Temp.:

ca. 25 °C

Vapour pressure:

ca. 7.34 other: x10-6 Pa

Applicant's summary and conclusion

Conclusions:

(Q)SAR calculation performed using the EIPWIN suite of programs gave a value of 7.34x10-6 Pa for the Vapour pressure of Benzenaminium, 3-amino-N,N,N-trimethyl-,trichlorozincate.

Executive summary:

(Q)SAR calculation performed using the EIPWIN suite of programs gave a value of 7.34x10-6 Pa for the Vapour pressure of Benzenaminium, 3-amino-N,N,N-trimethyl-,trichlorozincate.