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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

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:
19 Sept 2012
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Valid estimation method in conjunction with "column 2" considerations

Data source

Reference
Reference Type:
other: software
Title:
Estimation Programs Interface Suite(TM) for Microsoft(R) Windows, v 4.10
Author:
US Environmental Protection Agency
Year:
2012
Bibliographic source:
United States Environmental Protection Agency, Washington, DC, USA. Online: http://www.epa.gov/oppt/exposure/pubs/episuite.htm, 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:
N-(4-chloro-2,5-dimethoxyphenyl)-2-[[2,5-dimethoxy-4-[(phenylamino)sulphonyl]phenyl]azo]-3-oxobutyramide
EC Number:
235-427-3
EC Name:
N-(4-chloro-2,5-dimethoxyphenyl)-2-[[2,5-dimethoxy-4-[(phenylamino)sulphonyl]phenyl]azo]-3-oxobutyramide
Cas Number:
12225-18-2
Molecular formula:
C26H27ClN4O8S
IUPAC Name:
N-(4-chloro-2,5-dimethoxyphenyl)-2-{[2,5-dimethoxy-4-(phenylsulfamoyl)phenyl]diazenyl}-3-oxobutanamide

Results and discussion

Vapour pressure
Temp.:
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

Conclusions:
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.