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EC number: 203-615-4 | CAS number: 108-78-1
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:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a (Q)SAR model, with limited documentation / justification, but validity of model and reliability of prediction considered adequate based on a generally acknowledged source
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6. The application domain is organic chemicals. Information on the performance, development and application are found under the Help tab of the program. See also https://www.epa.gov/tsca-screening-tools/epi-suitetm-estimation-program-interface
- Principles of method if other than guideline:
- Estimation by a QSAR-model. HENRYWIN estimates the Henry's Law Constant of organic compounds at 25 °C using the methodology originally described by Hine and Mookerjee (1975). The original methodology was updated and expanded at Syracuse Research Corporation as described in Meylan and Howard (1991). A subsequent update (HENRYWIN version 2) included additional fragment and correction factors. The current HENRYWIN program (version 3) extends the methodology to allow estimation of Henry's law constant over a temperature range (0 to 50 °C). In addition, version 3 includes an experimental Henry's law constant database of 1829 compounds.
- GLP compliance:
- no
- Specific details on test material used for the study:
- SMILES code: n(c(nc(n1)N)N)c1N
- Key result
- H:
- 0 atm m³/mol
- Executive summary:
The database of the EPA contains an experimentally determined Henrys law constant for melamine of 1.84 x 10exp-14 atm.m3/mol at 20 °C.
The calculated Henrys law constant =1.89*10exp-13 atm.m3/mol at 25 °C.
Reference
The database of the EPA contains an experimentally determined Henrys law constant for melamine of 1.84 x 10exp-14 atm.m3/mol at 20 °C.
The calculated Henrys law constant =1.89*10exp-13 atm.m3/mol at 25 °C.
The data can not be displayed in the field above.
Description of key information
The Henry's law constant is estimated to 2*10exp-13 atm.m3/mol (= ca. 2*10exp-8 Pa.m³/mol) at 25 °C
Key value for chemical safety assessment
Additional information
The database of the EPA contains an experimentally determined Henrys law constant for melamine of 1.84 x 10exp-14 atm.m3/mol at 20 °C.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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