Registration Dossier

Diss Factsheets

Administrative data

Endpoint:
Henry's law constant
Type of information:
calculation (if not (Q)SAR)
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)

Data source

Reference
Reference Type:
other: Prediction model
Title:
HENRYs LAW CONSTANT by EPI (Estimation Programs Interface) Suite
Author:
Sustainability Support Service (Europe) AB - estimated
Year:
2011
Bibliographic source:
Estimation Programs Interface Suite™ United States Environmental Protection Agency, Washington, DC, USA. version 4.1

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
other: Modelling database
Principles of method if other than guideline:
HENRYWIN (v3.20) Program
GLP compliance:
no

Test material

Constituent 1
Chemical structure
Reference substance name:
4-nitro-o-xylene
EC Number:
202-761-6
EC Name:
4-nitro-o-xylene
Cas Number:
99-51-4
Molecular formula:
C8H9NO2
IUPAC Name:
4-nitro-o-xylene
Details on test material:
Substance Name : 4-nitro-o-xylene
Molecular Formula : C8H9NO2
Physical state : Liquid

Results and discussion

Henry's Law constant H
H:
5.18 Pa m³/mol
Temp.:
25 °C
Remarks on result:
other: Estimated via Bond Contribution Method

Applicant's summary and conclusion

Conclusions:
Henry's law constant of 4-nitro-o-xylene is estimated as 5.18 Pa-m3/mole at 25 deg C by means of bond contribution method. Based on this, it is concluded that this substance has moderate volatility.

Executive summary:

Henry's law constant of 4-nitro-o-xylene is estimated as 5.18 Pa-m3/mole at 25 deg C by means of bond contribution method. Based on this, it is concluded that this substance has moderate volatility.