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Environmental fate & pathways

Henry's Law constant

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Endpoint:
Henry's law constant
Data waiving:
study scientifically not necessary / other information available
Justification for data waiving:
other:
Endpoint:
Henry's law constant
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Value obtained by estimation using SPARC v4.2. The information does not come from a test report, and the minimum fields required cannot be filled in.
Justification for type of information:
The justification for read across is provided as an attachment in IUCLID Section 13.
Reason / purpose:
read-across: supporting information
Principles of method if other than guideline:
Calculated by estimation using SPARC v4.2 program.
GLP compliance:
no
Remarks:
estimated by calculation
H:
55.6 atm m³/mol
Conclusions:
Calculated Henry's law constant is 55.6 atm-m3/mol.
Executive summary:

Henry's law constant has been estimated in the Concawe library, using SPARC v4.2 program. The obtained value is 55.6 atm-m3/mol.

Description of key information

Volatilisation is dependent on Henry's Constant (HC) which is not applicable to complex substances.

Standard tests for atmospheric oxidation half-lives are intended for single substances and are not appropriate for these complex substances. However, this endpoint is characterized using quantitative structure property relationships for representative hydrocarbon structures that comprise the hydrocarbon blocks used to assess the environmental risk of these substances with the PETRORISK model (see library tab in PETRORISK spreadsheet attached to IUCLID section 13).

 

Henry's law constant for icosane has been estimated in the Concawe library, using SPARC v4.2 program. The obtained value is 55.6 atm-m3/mol.

This data is used as read across for Isohexadecane.

Key value for chemical safety assessment

Additional information

Volatilisation is dependent on Henry's Constant (HC) which is not applicable to complex substances.

Standard tests for atmospheric oxidation half-lives are intended for single substances and are not appropriate for these complex substances. However, this endpoint is characterized using quantitative structure property relationships for representative hydrocarbon structures that comprise the hydrocarbon blocks used to assess the environmental risk of these substances with the PETRORISK model (see library tab in PETRORISK spreadsheet attached to IUCLID section 13).