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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
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:
EPI Suite(TM), Version 4.1
Author:
US Environmental Protection Agency
Year:
2012
Bibliographic source:
Online: http://www.epa.gov/oppt/exposure/pubs/episuite.htm, accessed: March 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:
2-[(4-chloro-2-nitrophenyl)azo]-N-(2-methoxyphenyl)-3-oxobutyramide
EC Number:
236-852-7
EC Name:
2-[(4-chloro-2-nitrophenyl)azo]-N-(2-methoxyphenyl)-3-oxobutyramide
Cas Number:
13515-40-7
Molecular formula:
C17H15ClN4O5
IUPAC Name:
2-[(4-chloro-2-nitrophenyl)diazenyl]-N-(2-methoxyphenyl)-3-oxobutanamide
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(c(OC)ccc1)c1)C(N=Nc(c(N(=O)(=O))cc(c2)CL)c2)C(=O)C

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

MOL FOR: C17 H15 CL1 N4 O5

MOL WT : 390.79

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

Boiling Point: 557.01 deg C (Adapted Stein and Brown Method)

Melting Point: 349.84 deg C (Adapted Joback Method)

Melting Point: 211.58 deg C (Gold and Ogle Method)

Mean Melt Pt : 280.71 deg C (Joback; Gold,Ogle Methods) Selected

MP: 239.23 deg C (Weighted Value)

Vapor Pressure Estimations (25 deg C):

(Using BP: 557.01 deg C (estimated)) (Using MP: 263.00 deg C (user entered))

VP: 4.5E-013 Pa (Antoine Method)

VP: 3.17E-010 Pa (Modified Grain Method)

VP: 1.21E-009 Pa (Mackay Method)

Selected VP: 3.17E-010 Pa (Modified Grain Method)

Subcooled liquid VP: 1.28E-007 Pa (25 deg C, Mod-Grain method)

On the basis of the vapour pressure of 3.17 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

Conclusions:
The calculated vapour pressure is 3.17E-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 3.17 x 10 -10 Pa at 25 °C based on the experimental melting point of 263 °C. The result is reported as a limit value of <0.000001 Pa at 25 °C.