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Administrative data

vapour pressure
Type of information:
calculation (if not (Q)SAR)
Migrated phrase: estimated by calculation
Adequacy of study:
key study
Study period:
11 March 2011
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Valid estimation method in conjunction with "column 2" considerations

Data source

Reference Type:
other: software
Estimation Programs Interface Suite(TM) for Microsoft(R) Windows, v 4.10
US Environmental Protection Agency
Bibliographic source:
United States Environmental Protection Agency, Washington, DC, USA. Online:, accessed: 11 March 2011

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 between 200°C and 300°C, see section 4.2).
Type of method:
other: calculation

Test material


Results and discussion

Vapour pressure
25 °C
Vapour pressure:
< 0 Pa

Any other information on results incl. tables

Detailed results (software output):

Experimental Database Structure Match: no data

SMILES : O=C(Nc(cccc1)c1)C(N=Nc(c(N(=O)(=O))cc(c2)C)c2)C(=O)C

CHEM : Butanamide, 2- (4-methyl-2-nitrophenyl)azo -3-oxo-N-phenyl-

MOL FOR: C17 H16 N4 O4

MOL WT : 340.34

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

Boiling Point: 526.26 deg C (Adapted Stein and Brown Method)

Melting Point: 349.84 deg C (Adapted Joback Method)

Melting Point: 193.62 deg C (Gold and Ogle Method)

Mean Melt Pt : 271.73 deg C (Joback; Gold,Ogle Methods)

Selected MP: 224.87 deg C (Weighted Value)

Vapor Pressure Estimations (25 deg C):

(Using BP: 526.26 deg C (estimated))

(Using MP: 257.00 deg C (user entered))

VP: 1.28E-011 Pa (Antoine Method)

VP: 2.31E-009 Pa (Modified Grain Method)

VP: 8.49E-009 Pa (Mackay Method)

Selected VP: : 2.31E-009 Pa (Modified Grain Method)

Subcooled liquid VP: : 7.88E-007 Pa (25 deg C, Mod-Grain method)

On the basis of the vapour pressure of 2.31 x 10 -9 Pa selected in the software output, a limit value of <0.000001 Pa at 25°C is chosen.

Applicant's summary and conclusion

The calculated vapour pressure is 2.31E-9 Pa at 25°C, given as a limit value of <0.000001 Pa at 25°C.
Executive summary:
The vapour pressure was estimated to be 2.31 x 10 -9 Pa at 25 °C based on the experimental melting point of 257 °C. The result is reported as a limit value of <0.000001 Pa at 25 °C.