Registration Dossier

Administrative data

Endpoint:
vapour pressure
Type of information:
calculation (if not (Q)SAR)
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
key study
Study period:
15 Nov 2011
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Acceptable, well-documented study report which meets basic scientific principles.

Data source

Referenceopen allclose all

Reference Type:
other: software
Title:
EPI Suite(TM), Version 4.1
Author:
US Environmental Protection Agency
Year:
2011
Bibliographic source:
Online: http://www.epa.gov/oppt/exposure/pubs/episuite.htm, accessed: November 2011
Reference Type:
study report
Title:
Unnamed
Year:
2012
Report Date:
2012

Materials and methods

Principles of method if other than guideline:
Calculated limit value according to column 2 in Annex VII of Regulation (EC) No 1907/2006 (melting point - here: decomposition temperature -between 200°C and 300°C, see section 4.2).
Type of method:
other: estimate

Test material

Reference
Name:
Unnamed
Type:
Constituent

Results and discussion

Vapour pressure
Temp.:
25 °C
Vapour pressure:
< 0 Pa

Any other information on results incl. tables

Software output:

Experimental Database Structure Match: no data

SMILES : O=C(Nc(c(OC)cc(OC)c1CL)c1)c(c(O)c(N=Nc(c(OC)ccc2S(=O)(=O)N(CC)CC)c2)c

        (c3ccc4)c4)c3

CHEM  : 2-Naphthalenecarboxamide, N-(5-chloro-2,4-dimethoxyphenyl)-4- 5- (di

        ethylamino)sulfonyl -2-methoxyphenyl azo -3-hydro

MOL FOR: C30 H31 CL1 N4 O7 S1

MOL WT : 627.12

------------------------ SUMMARY MPBPWIN v1.43 --------------------

Boiling Point: 827.93 deg C (Adapted Stein and Brown Method)

Melting Point: 349.84 deg C (Adapted Joback Method)

Melting Point: 349.84 deg C (Gold and Ogle Method)

Mean Melt Pt : 349.84 deg C (Joback; Gold,Ogle Methods)

Selected MP: 349.84 deg C (Weighted Value)

Vapor Pressure Estimations (25 deg C):

(Using BP: 827.93 deg C (estimated))

(Using MP: 349.84 deg C (estimated))

VP: 5.41E-038 mm Hg (Antoine Method)

     : 7.21E-036 Pa (Antoine Method)

VP: 2.59E-022 mm Hg (Modified Grain Method)

     : 3.45E-020 Pa (Modified Grain Method)

VP: 6.48E-020 mm Hg (Mackay Method)

     : 8.64E-018 Pa (Mackay Method)

Selected VP: 2.59E-022 mm Hg (Modified Grain Method)

            : 3.45E-020 Pa (Modified Grain Method)

Subcooled liquid VP: 1.33E-018 mm Hg (25 deg C, Mod-Grain method)

                    : 1.77E-016 Pa (25 deg C, Mod-Grain method)

Interpretation:

On the basis of the vapour pressure of 3.45 x 10 -20 Pa selected in the software output, a limit value of <0.000001 Pa is chosen.

Applicant's summary and conclusion

Conclusions:
The vapour pressure of the submission substance is estimated to be far below 0.000001 Pa.
Executive summary:

The vapour pressure of the submission substance was estimated by calculation in accordance with column 2 in Annex VII of Regulation (EC) No 1907/2006 by a calculation method recommended by the Guidance on Information Requirements and Chemical Safety Assessment (chapter R.7.1.5.3), MPBPVP of the EPI Suite (TM) software by the US Environmental Protection Agency (EPA, 2011).

The calculated vapour pressure value at 25°C is far below the chosen limit value of 0.000001 Pa.