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EC number: 643-078-7 | CAS number: 87855-59-2
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
- Flammability
- Explosiveness
- Oxidising properties
- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
- Nanomaterial specific surface area
- Nanomaterial Zeta potential
- Nanomaterial surface chemistry
- Nanomaterial dustiness
- Nanomaterial porosity
- Nanomaterial pour density
- Nanomaterial photocatalytic activity
- Nanomaterial radical formation potential
- Nanomaterial catalytic activity
- Endpoint summary
- Stability
- Biodegradation
- Bioaccumulation
- Transport and distribution
- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
- Sediment toxicity
- Terrestrial toxicity
- Biological effects monitoring
- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
- Sensitisation
- Repeated dose toxicity
- Genetic toxicity
- Carcinogenicity
- Toxicity to reproduction
- Specific investigations
- Exposure related observations in humans
- Toxic effects on livestock and pets
- Additional toxicological data
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- calculation (if not (Q)SAR)
- Remarks:
- Migrated phrase: estimated by calculation
- Adequacy of study:
- key study
- Study period:
- July 2010
- Reliability:
- 2 (reliable with restrictions)
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 010
- Report date:
- 2010
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- other: Atom/Fragment Contribution Method
- Principles of method if other than guideline:
- A Simplified Molecular Input Line Entry System (SMILES) string representing the compound of
interest was entered into EPI Suite. Although the KOWWIN uses only structure, experimental input
values were also entered, when known. Output files were saved as Microsoft Word documents,
printed, and retained in the study file for archive. - GLP compliance:
- no
- Type of method:
- other:
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- N-[ethenyl(N-ethylacetamido)methylsilyl]-N-ethylacetamide
- EC Number:
- 643-078-7
- Cas Number:
- 87855-59-2
- Molecular formula:
- C11 H22 N2 O2 Si Si(CH3)(CH=CH2)[N(CH2CH3)(C(=O)CH3)]2
- IUPAC Name:
- N-[ethenyl(N-ethylacetamido)methylsilyl]-N-ethylacetamide
- Test material form:
- solid: compact
Constituent 1
Results and discussion
Partition coefficient
- Type:
- log Pow
- Partition coefficient:
- 0.438
Any other information on results incl. tables
EPI Suite Results For CAS 87855-59-2
SMILES : CC(=O)N(CC)[Si](N(CC)(C(=O)C))(C)C=C
CHEM : Methylvinylbis(n-ethylacetamido)silane
MOL FOR: C11 H22 N2 O2 Si1
MOL WT : 242.40
------------------------------ EPI SUMMARY (v4.00) --------------------------
Physical Property Inputs:
Log Kow (octanol-water): ------
Boiling Point (deg C) : 198.00
Melting Point (deg C) : -50.00
Vapor Pressure (mm Hg) : 1.4799
Water Solubility (mg/L): ------
Henry LC (atm-m3/mole) : ------
KOWWIN Program (v1.67) Results:
===============================
Log Kow(version 1.67 estimate): 0.44
SMILES : CC(=O)N(CC)[Si](N(CC)(C(=O)C))(C)C=C
CHEM : Methylvinylbis(n-ethylacetamido)silane
MOL FOR: C11 H22 N2 O2 Si1
MOL WT : 242.40
-------+-----+--------------------------------------------+---------+--------
TYPE | NUM | LOGKOW FRAGMENT DESCRIPTION | COEFF | VALUE
-------+-----+--------------------------------------------+---------+--------
Frag | 5 | -CH3 [aliphatic carbon] | 0.5473 | 2.7365
Frag | 2 | -CH2- [aliphatic carbon] | 0.4911 | 0.9822
Frag | 1 | =CH2 [olefinic carbon] | 0.5184 | 0.5184
Frag | 1 | =CH- or =C< [olefinc carbon] | 0.3836 | 0.3836
Frag | 2 | -N< [aliphatic attach] |-1.8323 | -3.6646
Frag | 2 | -C(=O)N [aliphatic attach] |-0.5236 | -1.0472
Frag | 1 | -Si- [silicon, aliphat attach (not oxy)] | 0.3004 | 0.3004
Const | | Equation Constant | | 0.2290
-------+-----+--------------------------------------------+---------+--------
NOTE | | This Si compound may react with water...Kow suspect!|
-------+-----+--------------------------------------------+---------+--------
Log Kow = 0.4383
Applicant's summary and conclusion
- Conclusions:
- The log P of methylvinylbis(n-ethylactamido)silane is estimated to be 0.4383. The log P of nethylacetamide
is estimated to be -0.2051. The log P of methylvinylsilanediol is estimated to be -
0.0525. - Executive summary:
The octanol-water partition coefficient is a physical property used to describe a chemical’s lipophilic
or hydrophobic properties. KOWWIN uses only a chemical structure to estimate the logarithmic
octanol-water partition coefficient (log P) of organic compounds. KOWWIN’s methodology is
known as an Atom/Fragment Contribution method. Coefficients for individual fragments and
groups were derived by multiple regression of 2447 reliably measured log P values. KOWWIN’s
reductionist fragment constant methodology differs from the constructionist fragment constant
methodology of Hansch and Leo.The log P of methylvinylbis(n-ethylactamido)silane is estimated to be 0.4383. The log P of nethylacetamide is estimated to be -0.2051. The log P of methylvinylsilanediol is estimated to be -0.0525.
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