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vapour pressure
Type of information:
calculation (if not (Q)SAR)
Migrated phrase: estimated by calculation
Adequacy of study:
key study
Study period:
19 Sept 2012
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: 19 Sept 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 between 200°C and 300°C, see section 4.2).
Type of method:
other: calculation

Test material

Constituent 1
Chemical structure
Reference substance name:
EC Number:
EC Name:
Cas Number:
Molecular formula:

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(c(OC)cc(c1OC)CL)c1)C(N=Nc(c(OC)cc(S(=O)(=O)Nc(cccc2)c2)c3OC)c3)C(=O)C

CHEM : Butanamide, N-(4-chloro-2,5-dimethoxyphenyl)-2- 2,5-dimethoxy-4- (phenylamino)sulfonyl phenyl azo -3-oxo-

MOL FOR: C26 H27 CL1 N4 O8 S1

MOL WT : 591.04

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

Boiling Point: 760.34 deg C (Adapted Stein and Brown Method)

Melting Point: 349.84 deg C (Adapted Joback Method)

Melting Point: 330.30 deg C (Gold and Ogle Method)

Mean Melt Pt : 340.07 deg C (Joback; Gold,Ogle Methods)

Selected MP: 334.21 deg C (Weighted Value)

Vapor Pressure Estimations (25 deg C):

(Using BP: 760.34 deg C (estimated))

(Using MP: 300.00 deg C (user entered))

VP: 2.93E-028 mm Hg (Antoine Method)

: 3.91E-026 Pa (Antoine Method)

VP: 3.36E-018 mm Hg (Modified Grain Method)

: 4.48E-016 Pa (Modified Grain Method)

VP: 1.49E-017 mm Hg (Mackay Method)

: 1.98E-015 Pa (Mackay Method)

Selected VP: 3.36E-018 mm Hg (Modified Grain Method)

: 4.48E-016 Pa (Modified Grain Method)

Subcooled liquid VP: 3.94E-015 mm Hg (25 deg C, Mod-Grain method)

: 5.25E-013 Pa (25 deg C, Mod-Grain method)

On the basis of the vapour pressure of 4.48 x 10 -16 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 4.48E-16 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 4.48 x 10 -16 Pa at 25 °C based on the experimental melting point of 300 °C (see section 4.2). The result is reported as a limit value of <0.000001 Pa at 25 °C.