Registration Dossier
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EC number: 201-084-3 | CAS number: 78-11-5
Henry's Law constant
Administrative data
Link to relevant study record(s)
- 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:
- accepted calculation method
- Justification for type of information:
- Internationally accepted calculation method, EPI-Suite EPA (USA): HENRYWIN (v3.20)
- Qualifier:
- no guideline available
- Principles of method if other than guideline:
- Estimation of Henry's Law constant using HENRYWIN v3.20 via VP/WSol
- Specific details on test material used for the study:
- SMILES: O(N(=O)=O)CC(CO(N(=O)=O))(CO(N(=O)=O))CO(N(=O)=O)
- Key result
- H:
- 0 atm m³/mol
- Temp.:
- 25 °C
- Remarks on result:
- other: Estimated by calculation
- Remarks:
- HENRYWIN v3.20 via VP/WSol
- H:
- 0 atm m³/mol
- Temp.:
- 25 °C
- Remarks on result:
- other: Estimated by calculation
- Remarks:
- HENRYWIN v3.20 Bond method
- Executive summary:
Henrys LC [via VP/WSol estimate]:
HLC: 1.316E-009 atm-m3/mole (1.333E-004 Pa-m3/mole)
VP: 1.36E-007 mm Hg
WS: 43 mg/L
Reference
Description of key information
Henry's constant has been estimated on 1.32E-4 Pa m3/mol. This value concludes that volatilization of pentaerythritol pentanitrate from moist soil surfaces/ water surfaces is not expected to be an important fate process.
Key value for chemical safety assessment
- Henry's law constant (H) (in Pa m³/mol):
- 0
- at the temperature of:
- 25 °C
Additional information
The Henry's Law constant for pentaerythritol tetranitrate was estimated from its vapor pressure (1.36E-7 mm Hg), and water solubility (43 mg/L).
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