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Registration Dossier
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EC number: 202-761-6 | CAS number: 99-51-4
Henry's Law constant
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:
- 2 011
- 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
- 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
Constituent 1
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.
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