Registration Dossier

Administrative data

Endpoint:
Henry's law constant
Type of information:
(Q)SAR
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
key study
Study period:
2010 calculated
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: The reliability rating was 2 because the data were calculated.
Justification for type of information:
SOFTWARE: EPISuite v4.11
MODEL (incl. version number): HENRYWIN v3.20
SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL: CC(CCCCCCCOC(=O)(c1cc(C(=O)(OCCCCCCCC(C)C))c(C(=O)(OCCCCCCCCCCC(C)C))cc1))C
SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL & APPLICABILITY DOMAIN: see attached justification

Data source

Reference
Reference Type:
other: Computer model
Title:
Unnamed
Year:
2012

Materials and methods

Test guideline
Qualifier:
according to
Guideline:
other: Computer model, US EPA EPI-Suite program
GLP compliance:
no

Test material

Reference
Name:
Unnamed
Type:
Constituent
Details on test material:
SMILES notation used: CC(CCCCCCCOC(=O)(c1cc(C(=O)(OCCCCCCCC(C)C))c(C(=O)(OCCCCCCCCCCC(C)C))cc1))C. This represent one of many possible isomeric structures for the ester reaction products of isodecyl and isotridecyl alcohols with trimellitic anhydride, the registrant test substance

Results and discussion

Henry's Law constant H
H:
0.008 atm m³/mol
Temp.:
15 °C
Atm. press.:
1 atm

Any other information on results incl. tables

see conclusion and summary.

Applicant's summary and conclusion

Conclusions:
Henry's law constant was calculated based on vapor pressure and water solubility using the EPI Suite (V4.11) computer program. The Henry's law constant was estimated to be 0.00796 atm-m3/mole for the test substance, which indicates that volatilization from water, if it occurs is relatively slow.
Executive summary:

Henry's law constant was calculated based on vapor pressure and water solubility using the EPI Suite (V4.11) computer program.  The Henry's law constant was estimated to be 0.00796 atm-m3/mole for the test substance, which indicates that volatilization from water, if it occurs is relatively slow.  Hence, the test substance most likely volatilizes slowly to air from aqueous environments and probably has limited volatilization from soil.