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EC number: 204-112-2 | CAS number: 115-86-6
Henry's Law constant
Administrative data
Link to relevant study record(s)
- 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
- 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)).
Reference
| 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 |
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
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