Registration Dossier
Registration Dossier
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EC number: 930-947-3 | CAS number: 146987-98-6
Vapour pressure
Administrative data
- Endpoint:
- vapour pressure
- Type of information:
- calculation (if not (Q)SAR)
- Remarks:
- Migrated phrase: estimated by calculation
- Adequacy of study:
- supporting study
- Reliability:
- 4 (not assignable)
- Rationale for reliability incl. deficiencies:
- other: no information available whether the calculation model is validated for the substance under investigation
Data source
Reference
- Reference Type:
- other: unpublished calculation
- Title:
- Unnamed
- Year:
- 2 009
Materials and methods
Test guideline
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- Fatty acids, coco, reaction products with N,N-dimethyl-1,3-propanediamine represent a mixture containing C8-, C10-, C12-, C14-, C16-, and C18-alkyl side chains. Based on this and the variable composition of the compound (alkyl chain distribution dependent on origin of the coco fatty acid) the calculation of physico-chemical properties for the mixture is not feasible. To get a hint on the physico-chemical data, a calculation was conducted for the C8, C12 and the C18 derivates. The vapour pressures of the C8, C12 and C18 derivates were calculated using EPIWIN v4.0, MPBPWIN v1.43.
- GLP compliance:
- no
- Type of method:
- other: calculation
Test material
- Reference substance name:
- Amides, C8-18 even numbered, N-[3-(dimethylamino)propyl]
- EC Number:
- 930-947-3
- Cas Number:
- 146987-98-6
- Molecular formula:
- R-CO(NH)(CH2)(CH2)(CH2)N(Me2), whereas R=C8-18 (even numbered)
- IUPAC Name:
- Amides, C8-18 even numbered, N-[3-(dimethylamino)propyl]
Constituent 1
Results and discussion
Vapour pressureopen allclose all
- Temp.:
- 25 °C
- Vapour pressure:
- 0 hPa
- Remarks on result:
- other: C8 derivate
- Temp.:
- 25 °C
- Vapour pressure:
- 0 hPa
- Remarks on result:
- other: C12 derivate (with 40-60 percentages in a substance)
- Temp.:
- 25 °C
- Vapour pressure:
- 0 hPa
- Remarks on result:
- other: C18 derivate
Any other information on results incl. tables
Fatty acids, coco, reaction products with N,N-dimethyl-1,3-propanediamine represent a mixture containing C8-, C10-, C12-, C14-, C16-, and C18-alkyl side chains. Based on this and the variable composition of the compound (alkyl chain distribution dependent on origin of the coco fatty acid) the calculation of physico-chemical properties for the mixture is not feasible. To get a hint on the physico-chemical data, a calculation was conducted for the C8, C12 and the C18 derivates. Vapour pressures of 9.86 x 10E-4 hPa (7.4 x 10E-6 mm Hg; C8 derivate), 3.96 x 10E-7 hPa (2.97 x 10E-7 mm Hg; C12) and 2.23 x 10E-9 hPa (1.67 x 10E-9 mm Hg; C18 derivate, at 25 °C each) were calculated using EPIWIN v4.0, MPBPWIN v1.43. Due to missing information about the applicability of the calculation model in respect to the substance under investigation the results should be treated with care.
Applicant's summary and conclusion
- Conclusions:
- Fatty acids, coco, reaction products with N,N-dimethyl-1,3-propanediamine represent a mixture containing C8-, C10-, C12-, C14-, C16-, and C18-alkyl side chains. Based on this and the variable composition of the compound (alkyl chain distribution dependent on origin of the coco fatty acid) the calculation of physico-chemical properties for the mixture is not feasible. To get a hint on the physico-chemical data, a calculation was conducted for the C8, C12 and the C18 derivates. Vapour pressures of 9.86 x 10E-4 hPa (7.4 x 10E-6 mm Hg; C8 derivate), 3.96 x 10E-7 hPa (2.97 x 10E-7 mm Hg; C12) and 2.23 x 10E-9 hPa (1.67 x 10E-9 mm Hg; C18 derivate, at 25 °C each) were calculated using EPIWIN v4.0, MPBPWIN v1.43. Due to missing information about the applicability of the calculation model in respect to the substance under investigation the results should be treated with care.
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