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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.

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