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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: Prediction model
Title:
Henry's Law Constant by EPI (Estimation Programs Interface) Suite
Author:
Sustainability Support Service (Europe) AB - estimated
Year:
2016
Bibliographic source:
Estimation Programs Interface Suite™ United States Environmental Protection Agency, Washington, DC, USA. version 4.1
Reference Type:
review article or handbook
Title:
Henry's Law Constant of the test material: 4548-53-2
Author:
SRC Physprop database
Year:
2016
Bibliographic source:
SRC (Syracuse Research Corporation) PhysProp Database

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
other: Modeling Database
Principles of method if other than guideline:
EPI Suite estimation database
GLP compliance:
no

Test material

Constituent 1
Chemical structure
Reference substance name:
Disodium 3-[(2,4-dimethyl-5-sulphonatophenyl)azo]-4-hydroxynaphthalene-1-sulphonate
EC Number:
224-909-9
EC Name:
Disodium 3-[(2,4-dimethyl-5-sulphonatophenyl)azo]-4-hydroxynaphthalene-1-sulphonate
Cas Number:
4548-53-2
Molecular formula:
C18H16N2O7S2.2Na
IUPAC Name:
disodium 3-[(2,4-dimethyl-5-sulfonatophenyl)diazenyl]-4-hydroxynaphthalene-1-sulfonate
Constituent 2
Reference substance name:
FD and C Red no 4
IUPAC Name:
FD and C Red no 4
Details on test material:
- Name of test material (as cited in study report): FD&C Red No. 4- Molecular formula (if other than submission substance): C18-H14-N2-O7-S2.2NaC18-H16-N2-O7-S2.2Na- Molecular weight (if other than submission substance): 480.4276 g/mmol- Substance type: Organic- Physical state: No data available

Results and discussion

Henry's Law constant H
H:
0 atm m³/mol
Temp.:
25 °C
Remarks on result:
other: 4.00E-023 atmm3/mol (4.06E-018 Pa-m3/mole)

Applicant's summary and conclusion

Conclusions:
The Henry's law Constant for the test material FD and C Red no 4 is estimated to be 4E-23 atmm3/mol at 25 deg C by the EPI Suite estimation program.
Executive summary:

The Henry's law Constant for the test material FD and C Red no 4 is estimated to be 4E-23 atmm3/mol at 25 deg C by the EPI Suite estimation program.