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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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)
Adequacy of study:
key study
Study period:
11 March 2011
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:
2011
Bibliographic source:
United States Environmental Protection Agency, Washington, DC, USA. Online: http://www.epa.gov/oppt/exposure/pubs/episuite.htm, 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

Constituent 1
Chemical structure
Reference substance name:
2-[(4-methyl-2-nitrophenyl)azo]-3-oxo-N-phenylbutyramide
EC Number:
219-730-8
EC Name:
2-[(4-methyl-2-nitrophenyl)azo]-3-oxo-N-phenylbutyramide
Cas Number:
2512-29-0
Molecular formula:
C17H16N4O4
IUPAC Name:
2-[(4-methyl-2-nitrophenyl)diazenyl]-3-oxo-N-phenylbutanamide
Test material form:
solid

Results and discussion

Vapour pressure
Key result
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(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

Conclusions:
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.