Registration Dossier
Registration Dossier
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EC number: 946-061-5 | CAS number: -
Vapour pressure
Administrative data
Link to relevant study record(s)
- Endpoint:
- vapour pressure
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting study
- Reliability:
- 4 (not assignable)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with limited documentation / justification
- Justification for type of information:
- 1. SOFTWARE
EPIWEB
2. MODEL (incl. version number)
Vapor Pressure Estimations (MPBPVP v1.43)
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
CCCCCCCCC=CCCCCCCCCOCCOCCOCC(=O)(O)
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
The model is seen by the community as relatively robust and reliable tool for the estimation of the order of magnitude of vapour pressure.
The method is based on the estimation of the boiling point by a group contribution approach and the subsequent calculation of vapour pressure by the Antoine method and the modified Grain method. - Temp.:
- 25 °C
- Vapour pressure:
- 0 Pa
- Temp.:
- 25 °C
- Vapour pressure:
- 0 Pa
- Conclusions:
- The vapour pressure of the molecular entity "Poly(oxy-1,2-ethanediyl), α-(carboxymethyl)-ω -[(9Z)-9-hexadecenyloxy]-", with 2 ethoxy units and C16' Alkyl, was calculated by QSAR to be at 25 °C:
4.21E-006 Pa (Antoine Method) and 2.77E-005 Pa (Modified Grain Method). This molecular entity has a higher vapour pressure than the main component and thus can seen as being a worst case. - Executive summary:
The vapour pressure of the molecular entity "Poly(oxy-1,2-ethanediyl), α-(carboxymethyl)-ω -[(9Z)-9-hexadecenyloxy]-", with 2 ethoxy units and C16' Alkyl, was calculated by QSAR to be at 25 °C:
4.21E-006 Pa (Antoine Method) and 2.77E-005 Pa (Modified Grain Method). This molecular entity has a higher vapour pressure than the main component and thus can seen as being a worst case.
Reference
Description of key information
The vapour pressure of the molecular entity "Poly(oxy-1,2-ethanediyl), α-(carboxymethyl)-ω -[(9Z)-9-hexadecenyloxy]-", with 2 ethoxy units and C16' Alkyl, was calculated by QSAR to be at 25 °C:
4.21E-006 Pa (Antoine Method) and 2.77E-005 Pa (Modified Grain Method). This molecular entity has a higher vapour pressure than the main component and thus can seen as being a worst case.
Key value for chemical safety assessment
- Vapour pressure:
- 0 Pa
- at the temperature of:
- 25 °C
Additional information
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