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EC number: 200-679-5 | CAS number: 68-12-2
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:
- 2020-04-06
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Justification for type of information:
- 1. SOFTWARE
EpiSuite v4.11
2. MODEL (incl. version number)
HENRYWIN v3.20
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
CN(C)C=O, See also section 'Test Material'.
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
See attached QMRF.
5. APPLICABILITY DOMAIN
See attached QPRF.
6. ADEQUACY OF THE RESULT
- The model is scientifically valid (see attached QMRF).
- See attached QPRF for reliability assessment. - Guideline:
- other: REACH Guidance on QSARs R.6
- Principles of method if other than guideline:
- - Software tool(s) used including version: EpiSuite v4.11
- Model(s) used: HENRYWIN v3.20
- Model description: see field 'Attached justification'
- Justification of QSAR prediction: see field 'Attached justification' - Specific details on test material used for the study:
- CN(C)C=O
- H:
- 0.007 Pa m³/mol
- Temp.:
- 25 °C
- Remarks on result:
- other: Bond method
- Conclusions:
- For dimethylformamide a Henry's Law Constant of 0.00748 Pa m³/mol was calculated at 25 °C.
- Executive summary:
Calculation using HENRYWIN v3.20 revealed: H = 0.00748 Pa m³/mol at 25 °C.
Reference
H = 0.00748 Pa m³/mol at 25 °C
Description of key information
QSAR using HENRYWIN v3.20 (which is part of EPI Suite v4.11): H = 0.00748 Pa m³/mol at 25 °C.
Key value for chemical safety assessment
- Henry's law constant (H) (in Pa m³/mol):
- 0.007
- at the temperature of:
- 25 °C
Additional information
The Henry’s Law Constant of 0.00748 Pa * m³/mol at 25 °C is calculated within the EPI Suite v4.11 program by use of the Bond Estimation Method. A calculation on the photodegradation of the test substance by Taft et al. (1985) resulted in a HLC of 0.0075 Pa*m³/mol at 25 °C.
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