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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:
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: 18 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)ccc1)c1)C(N=Nc(c(N(=O)(=O))cc(OC)c2)c2)C(=O)C

CHEM : Butanamide, 2- (4-methoxy-2-nitrophenyl)azo -N-(2-methoxyphenyl)-3-oxo-

MOL FOR: C18 H18 N4 O6

MOL WT : 386.37

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

Boiling Point: 561.97 deg C (Adapted Stein and Brown Method)

Melting Point: 349.84 deg C (Adapted Joback Method)

Melting Point: 214.47 deg C (Gold and Ogle Method)

Mean Melt Pt : 282.16 deg C (Joback; Gold,Ogle Methods)

Selected MP: 241.55 deg C (Weighted Value)

Vapor Pressure Estimations (25 deg C):

(Using BP: 561.97 deg C (estimated))

(Using MP: 225.00 deg C (user entered))

VP: 5.74E-015 mm Hg (Antoine Method)

: 7.66E-013 Pa (Antoine Method)

VP: 5.15E-012 mm Hg (Modified Grain Method)

: 6.86E-010 Pa (Modified Grain Method)

VP: 1.6E-011 mm Hg (Mackay Method)

: 2.14E-009 Pa (Mackay Method)

Selected VP: 5.15E-012 mm Hg (Modified Grain Method)

: 6.86E-010 Pa (Modified Grain Method)

Subcooled liquid VP: 7.16E-010 mm Hg (25 deg C, Mod-Grain method)

: 9.55E-008 Pa (25 deg C, Mod-Grain method)

On the basis of the vapour pressure of 6.86 x 10 -10 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 6.86 E-10 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 6.86 x 10-10 Pa at 25 °C based on the experimental melting point of 225 °C. The result is reported as a limit value of <0.000001 Pa at 25 °C.

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