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Environmental fate & pathways

Henry's Law constant

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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

Referenceopen allclose all

Reference Type:
other: Authoritative data base
Title:
Danish QSAR study for CAS No.: 41687-30-3
Author:
Danish EPA Model
Year:
2012
Bibliographic source:
QSAR predictions by Danish Environmental Protection Agency (EPA)model powered by OASIS database:-EPI Suite (HENRYWIN) Various versions of EPI Suite dating back from 1990-2004
Reference Type:
other: Prediction model
Title:
Henry's 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:
Data is from Danish QSAR & EPI (Estimation Programs Interface) Suite
GLP compliance:
no

Test material

Constituent 1
Chemical structure
Reference substance name:
2-[(3-nitrophenyl)sulphonyl]ethanol
EC Number:
255-501-9
EC Name:
2-[(3-nitrophenyl)sulphonyl]ethanol
Cas Number:
41687-30-3
Molecular formula:
C8H9NO5S
IUPAC Name:
3 Nitrophenyl-B-Hydroxyethylsulfone
Details on test material:
- Name of test material (as cited in study report): 2-[(3-nitrophenyl)sulphonyl]ethanol
- Substance type: Organic
- Physical state: Solid

Results and discussion

Henry's Law constant H
Temp.:
25 °C
Remarks on result:
other: Henry's Law constant : 0.000000000000239 atm-m3/Mole

Applicant's summary and conclusion

Conclusions:
Henry's constant of 2-[(3-nitrophenyl)sulphonyl]ethanol estimated as 0.0000000000000214 atm-m3/Mole by means of the bond contribution
Indicate Non volatile in nature.
Executive summary:

Henry's constant of 2-[(3-nitrophenyl)sulphonyl]ethanol estimated as 0.0000000000000214 atm-m3/Mole by means of the bond contribution Indicate Non volatile in nature.

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