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Environmental fate & pathways

Henry's Law constant

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Reference
Endpoint:
Henry's law constant
Type of information:
(Q)SAR
Adequacy of study:
key study
Study period:
2017
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Qualifier:
no guideline available
Principles of method if other than guideline:
Calculation using HENRYWIN v.3.2 included in EPISuite v 4.11, 2000 - 2012
EPI Suite was developed by the EPA's Office of Pollution Prevention Toxics and Syracuse Research Corporation (SRC), Coyright 2000-2012 U.S. Environmental Protection Agency
GLP compliance:
no
H:
0.004 Pa m³/mol
Temp.:
25 °C

 class  Bond contribution description  value
 Hydrogen  15 Hydrogen to carbon (aromatic) bonds  -2.3144

 Fragment

 18 Car-Car 4.7485 
 Fragment  9 O-P 1.1791 
 Fragment  1 O=P 1.6334 
 Fragment 3 Car-O 1.0418 
 Factor  1 Triaryl phosphate group -0.5000
 Result  Bond estimation method for LWAPC value 5.788 
Conclusions:
The Henry's Law constant for TPP was determined as 0.00403 Pa m³/mol.
Executive summary:

The Henry's Law constant for TPP was determined as 0.00403 Pa m³/mol at 25 °C (calculated by HENRYWIN, v3.20 (2011)).

Description of key information

Henry's Law constant has been determined by calculation (HENRYWIN, v3.10 (2001)).

Key value for chemical safety assessment

Henry's law constant (H) (in Pa m³/mol):
0.004
at the temperature of:
25 °C

Additional information