3-hydroxy-4-[(2-methyl-5-nitrophenyl)azo]-N-phenylnaphthalene-2-carboxamide

Vapour pressure

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:

16 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

Reference

Reference 1

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 2

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

Test material information

Constituent 1

Reference substance name:

3-hydroxy-4-[(2-methyl-5-nitrophenyl)azo]-N-phenylnaphthalene-2-carboxamide

EC Number:

229-245-3

EC Name:

3-hydroxy-4-[(2-methyl-5-nitrophenyl)azo]-N-phenylnaphthalene-2-carboxamide

Cas Number:

6448-95-9

Molecular formula:

C24H18N4O4

IUPAC Name:

3-hydroxy-4-[(2-methyl-5-nitrophenyl)diazenyl]-N-phenyl-2-naphthamide

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(cccc1)c1)c(c(O)c(N=Nc(c(ccc2N(=O)(=O))C)c2)c(c3ccc4)c4)c3

CHEM  : 2-Naphthalenecarboxamide, 3-hydroxy-4- (2-methyl-5-nitrophenyl)azo -N

        -phenyl-

MOL FOR: C24 H18 N4 O4

MOL WT : 426.43

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

Boiling Point: 665.66 deg C (Adapted Stein and Brown Method)

Melting Point: 349.84 deg C (Adapted Joback Method)

Melting Point: 275.02 deg C (Gold and Ogle Method)

Mean Melt Pt : 312.43 deg C (Joback; Gold,Ogle Methods)

 Selected MP: 289.98 deg C (Weighted Value)

Vapor Pressure Estimations (25 deg C):

 (Using BP: 665.66 deg C (estimated))

 (Using MP: 289.98 deg C (estimated))

VP: 4.06E-023 mm Hg (Antoine Method)

     : 5.41E-021 Pa (Antoine Method)

VP: 8.79E-017 mm Hg (Modified Grain Method)

     : 1.17E-014 Pa (Modified Grain Method)

VP: 6.84E-015 mm Hg (Mackay Method)

     : 9.11E-013 Pa (Mackay Method)

Selected VP: 8.79E-017 mm Hg (Modified Grain Method)

            : 1.17E-014 Pa (Modified Grain Method)

Subcooled liquid VP: 7.71E-014 mm Hg (25 deg C, Mod-Grain method)

                    : 1.03E-011 Pa (25 deg C, Mod-Grain method)

Interpretation:

On the basis of the vapour pressure of 1.17 x 10^-14 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.